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eslint-disable-next-line @typescript-eslint/unbound-method\nconst toString = Object.prototype.toString;\n/**\n * Checks if an object is an instance of an Array (array or typed array, except those that contain bigint values).\n *\n * @param value - Object to check.\n * @returns True if the object is an array or a typed array.\n */\nexport function isAnyArray(value) {\n    const tag = toString.call(value);\n    return tag.endsWith('Array]') && !tag.includes('Big');\n}\n//# sourceMappingURL=index.js.map","import { isAnyArray } from 'is-any-array';\n/**\n * This function\n * @param output - undefined or a new array\n * @param length - length of the output array\n * @returns\n */\nexport function getOutputArray(output, length) {\n    if (output !== undefined) {\n        if (!isAnyArray(output)) {\n            throw new TypeError('output option must be an array if specified');\n        }\n        if (output.length !== length) {\n            throw new TypeError('the output array does not have 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xAbsoluteSum(array, options = {}) {\n    xCheck(array);\n    const { fromIndex, toIndex } = xGetFromToIndex(array, options);\n    let sum = 0;\n    for (let i = fromIndex; i <= toIndex; i++) {\n        sum += Math.abs(array[i]);\n    }\n    return sum;\n}\n//# sourceMappingURL=xAbsoluteSum.js.map","import { isAnyArray } from 'is-any-array';\n/**\n * This function xAdd the first array by the second array or a constant value to each element of the first array\n * @param array1 - the first array\n * @param array2 - the second array or number\n * @returns the result of the addition\n */\nexport function xAdd(array1, array2) {\n    let isConstant = false;\n    let constant = 0;\n    if (isAnyArray(array2)) {\n        if (array1.length !== array2.length) {\n            throw new Error('size of array1 and array2 must be identical');\n        }\n    }\n    else {\n        isConstant = true;\n        constant = array2;\n    }\n    const array3 = new Float64Array(array1.length);\n    if 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(fromIndex < 0 || fromIndex >= input.length || !Number.isInteger(fromIndex)) {\n    throw new Error('fromIndex must be a positive integer smaller than length');\n  }\n\n  if (toIndex <= fromIndex || toIndex > input.length || !Number.isInteger(toIndex)) {\n    throw new Error('toIndex must be an integer greater than fromIndex and at most equal to length');\n  }\n\n  var maxValue = input[fromIndex];\n\n  for (var i = fromIndex + 1; i < toIndex; i++) {\n    if (input[i] > maxValue) maxValue = input[i];\n  }\n\n  return maxValue;\n}\n\nexport { max as default };\n","import { isAnyArray } from 'is-any-array';\n\nfunction min(input) {\n  var options = arguments.length > 1 && arguments[1] !== undefined ? arguments[1] : {};\n\n  if (!isAnyArray(input)) {\n    throw new TypeError('input must be an array');\n  }\n\n  if (input.length === 0) {\n    throw new TypeError('input must not be empty');\n  }\n\n  var _options$fromIndex = options.fromIndex,\n      fromIndex = _options$fromIndex === void 0 ? 0 : _options$fromIndex,\n      _options$toIndex = options.toIndex,\n      toIndex = _options$toIndex === void 0 ? input.length : _options$toIndex;\n\n  if (fromIndex < 0 || fromIndex >= input.length || !Number.isInteger(fromIndex)) {\n    throw new Error('fromIndex must be a positive integer smaller than length');\n  }\n\n  if (toIndex <= fromIndex || toIndex > input.length || !Number.isInteger(toIndex)) {\n    throw new Error('toIndex must be an integer greater than fromIndex and at most equal to length');\n  }\n\n  var minValue = input[fromIndex];\n\n  for (var i = fromIndex + 1; i < toIndex; i++) {\n    if (input[i] < minValue) minValue = input[i];\n  }\n\n  return minValue;\n}\n\nexport { min as default };\n","import { isAnyArray } from 'is-any-array';\nimport max from 'ml-array-max';\nimport min from 'ml-array-min';\n\nfunction rescale(input) {\n  var options = arguments.length > 1 && arguments[1] !== undefined ? arguments[1] : {};\n\n  if (!isAnyArray(input)) {\n    throw new TypeError('input must be an array');\n  } else if (input.length === 0) {\n    throw new TypeError('input must not be empty');\n  }\n\n  var output;\n\n  if (options.output !== undefined) {\n    if (!isAnyArray(options.output)) {\n      throw new TypeError('output option must be an array if specified');\n    }\n\n    output = options.output;\n  } else {\n    output = new Array(input.length);\n  }\n\n  var currentMin = min(input);\n  var currentMax = max(input);\n\n  if (currentMin === currentMax) {\n    throw new RangeError('minimum and maximum input values are equal. Cannot rescale a constant array');\n  }\n\n  var _options$min = options.min,\n      minValue = _options$min === void 0 ? options.autoMinMax ? currentMin : 0 : _options$min,\n      _options$max = options.max,\n      maxValue = _options$max === void 0 ? options.autoMinMax ? currentMax : 1 : _options$max;\n\n  if (minValue >= maxValue) {\n    throw new RangeError('min option must be smaller than max option');\n  }\n\n  var factor = (maxValue - minValue) / (currentMax - currentMin);\n\n  for (var i = 0; i < input.length; i++) {\n    output[i] = (input[i] - currentMin) * factor + minValue;\n  }\n\n  return output;\n}\n\nexport { rescale as default };\n","'use strict';\n\nObject.defineProperty(exports, '__esModule', { value: true });\n\nvar isAnyArray = require('is-any-array');\nvar rescale = require('ml-array-rescale');\n\nconst indent = ' '.repeat(2);\nconst indentData = ' '.repeat(4);\n\n/**\n * @this {Matrix}\n * @returns {string}\n */\nfunction inspectMatrix() {\n  return inspectMatrixWithOptions(this);\n}\n\nfunction inspectMatrixWithOptions(matrix, options = {}) {\n  const {\n    maxRows = 15,\n    maxColumns = 10,\n    maxNumSize = 8,\n    padMinus = 'auto',\n  } = options;\n  return `${matrix.constructor.name} {\n${indent}[\n${indentData}${inspectData(matrix, maxRows, maxColumns, maxNumSize, padMinus)}\n${indent}]\n${indent}rows: ${matrix.rows}\n${indent}columns: ${matrix.columns}\n}`;\n}\n\nfunction inspectData(matrix, maxRows, maxColumns, maxNumSize, padMinus) {\n  const { rows, columns } = matrix;\n  const maxI = Math.min(rows, maxRows);\n  const maxJ = Math.min(columns, maxColumns);\n  const result = [];\n\n  if (padMinus === 'auto') {\n    padMinus = false;\n    loop: for (let i = 0; i < maxI; i++) {\n      for (let j = 0; j < maxJ; j++) {\n        if (matrix.get(i, j) < 0) {\n          padMinus = true;\n          break loop;\n        }\n      }\n    }\n  }\n\n  for (let i = 0; i < maxI; i++) {\n    let line = [];\n    for (let j = 0; j < maxJ; j++) {\n      line.push(formatNumber(matrix.get(i, j), maxNumSize, padMinus));\n    }\n    result.push(`${line.join(' ')}`);\n  }\n  if (maxJ !== columns) {\n    result[result.length - 1] += ` ... ${columns - maxColumns} more columns`;\n  }\n  if (maxI !== rows) {\n    result.push(`... ${rows - maxRows} more rows`);\n  }\n  return result.join(`\\n${indentData}`);\n}\n\nfunction formatNumber(num, maxNumSize, padMinus) {\n  return (\n    num >= 0 && padMinus\n      ? ` ${formatNumber2(num, maxNumSize - 1)}`\n      : formatNumber2(num, maxNumSize)\n  ).padEnd(maxNumSize);\n}\n\nfunction formatNumber2(num, len) {\n  // small.length numbers should be as is\n  let str = num.toString();\n  if (str.length <= len) return str;\n\n  // (7)'0.00123' is better then (7)'1.23e-2'\n  // (8)'0.000123' is worse then (7)'1.23e-3',\n  let fix = num.toFixed(len);\n  if (fix.length > len) {\n    fix = num.toFixed(Math.max(0, len - (fix.length - len)));\n  }\n  if (\n    fix.length <= len &&\n    !fix.startsWith('0.000') &&\n    !fix.startsWith('-0.000')\n  ) {\n    return fix;\n  }\n\n  // well, if it's still too long the user should've used longer numbers\n  let exp = num.toExponential(len);\n  if (exp.length > len) {\n    exp = num.toExponential(Math.max(0, len - (exp.length - len)));\n  }\n  return exp.slice(0);\n}\n\nfunction installMathOperations(AbstractMatrix, Matrix) {\n  AbstractMatrix.prototype.add = function add(value) {\n    if (typeof value === 'number') return this.addS(value);\n    return this.addM(value);\n  };\n\n  AbstractMatrix.prototype.addS = function addS(value) {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) + value);\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.prototype.addM = function addM(matrix) {\n    matrix = Matrix.checkMatrix(matrix);\n    if (this.rows !== matrix.rows ||\n      this.columns !== matrix.columns) {\n      throw new RangeError('Matrices dimensions must be equal');\n    }\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) + matrix.get(i, j));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.add = function add(matrix, value) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.add(value);\n  };\n\n  AbstractMatrix.prototype.sub = function sub(value) {\n    if (typeof value === 'number') return this.subS(value);\n    return this.subM(value);\n  };\n\n  AbstractMatrix.prototype.subS = function subS(value) {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) - value);\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.prototype.subM = function subM(matrix) {\n    matrix = Matrix.checkMatrix(matrix);\n    if (this.rows !== matrix.rows ||\n      this.columns !== matrix.columns) {\n      throw new RangeError('Matrices dimensions must be equal');\n    }\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) - matrix.get(i, j));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.sub = function sub(matrix, value) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.sub(value);\n  };\n  AbstractMatrix.prototype.subtract = AbstractMatrix.prototype.sub;\n  AbstractMatrix.prototype.subtractS = AbstractMatrix.prototype.subS;\n  AbstractMatrix.prototype.subtractM = AbstractMatrix.prototype.subM;\n  AbstractMatrix.subtract = AbstractMatrix.sub;\n\n  AbstractMatrix.prototype.mul = function mul(value) {\n    if (typeof value === 'number') return this.mulS(value);\n    return this.mulM(value);\n  };\n\n  AbstractMatrix.prototype.mulS = function mulS(value) {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) * value);\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.prototype.mulM = function mulM(matrix) {\n    matrix = Matrix.checkMatrix(matrix);\n    if (this.rows !== matrix.rows ||\n      this.columns !== matrix.columns) {\n      throw new RangeError('Matrices dimensions must be equal');\n    }\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) * matrix.get(i, j));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.mul = function mul(matrix, value) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.mul(value);\n  };\n  AbstractMatrix.prototype.multiply = AbstractMatrix.prototype.mul;\n  AbstractMatrix.prototype.multiplyS = AbstractMatrix.prototype.mulS;\n  AbstractMatrix.prototype.multiplyM = AbstractMatrix.prototype.mulM;\n  AbstractMatrix.multiply = AbstractMatrix.mul;\n\n  AbstractMatrix.prototype.div = function div(value) {\n    if (typeof value === 'number') return this.divS(value);\n    return this.divM(value);\n  };\n\n  AbstractMatrix.prototype.divS = function divS(value) {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) / value);\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.prototype.divM = function divM(matrix) {\n    matrix = Matrix.checkMatrix(matrix);\n    if (this.rows !== matrix.rows ||\n      this.columns !== matrix.columns) {\n      throw new RangeError('Matrices dimensions must be equal');\n    }\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) / matrix.get(i, j));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.div = function div(matrix, value) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.div(value);\n  };\n  AbstractMatrix.prototype.divide = AbstractMatrix.prototype.div;\n  AbstractMatrix.prototype.divideS = AbstractMatrix.prototype.divS;\n  AbstractMatrix.prototype.divideM = AbstractMatrix.prototype.divM;\n  AbstractMatrix.divide = AbstractMatrix.div;\n\n  AbstractMatrix.prototype.mod = function mod(value) {\n    if (typeof value === 'number') return this.modS(value);\n    return this.modM(value);\n  };\n\n  AbstractMatrix.prototype.modS = function modS(value) {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) % value);\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.prototype.modM = function modM(matrix) {\n    matrix = Matrix.checkMatrix(matrix);\n    if (this.rows !== matrix.rows ||\n      this.columns !== matrix.columns) {\n      throw new RangeError('Matrices dimensions must be equal');\n    }\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) % matrix.get(i, j));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.mod = function mod(matrix, value) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.mod(value);\n  };\n  AbstractMatrix.prototype.modulus = AbstractMatrix.prototype.mod;\n  AbstractMatrix.prototype.modulusS = AbstractMatrix.prototype.modS;\n  AbstractMatrix.prototype.modulusM = AbstractMatrix.prototype.modM;\n  AbstractMatrix.modulus = AbstractMatrix.mod;\n\n  AbstractMatrix.prototype.and = function and(value) {\n    if (typeof value === 'number') return this.andS(value);\n    return this.andM(value);\n  };\n\n  AbstractMatrix.prototype.andS = function andS(value) {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) & value);\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.prototype.andM = function andM(matrix) {\n    matrix = Matrix.checkMatrix(matrix);\n    if (this.rows !== matrix.rows ||\n      this.columns !== matrix.columns) {\n      throw new RangeError('Matrices dimensions must be equal');\n    }\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) & matrix.get(i, j));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.and = function and(matrix, value) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.and(value);\n  };\n\n  AbstractMatrix.prototype.or = function or(value) {\n    if (typeof value === 'number') return this.orS(value);\n    return this.orM(value);\n  };\n\n  AbstractMatrix.prototype.orS = function orS(value) {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) | value);\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.prototype.orM = function orM(matrix) {\n    matrix = Matrix.checkMatrix(matrix);\n    if (this.rows !== matrix.rows ||\n      this.columns !== matrix.columns) {\n      throw new RangeError('Matrices dimensions must be equal');\n    }\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) | matrix.get(i, j));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.or = function or(matrix, value) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.or(value);\n  };\n\n  AbstractMatrix.prototype.xor = function xor(value) {\n    if (typeof value === 'number') return this.xorS(value);\n    return this.xorM(value);\n  };\n\n  AbstractMatrix.prototype.xorS = function xorS(value) {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) ^ value);\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.prototype.xorM = function xorM(matrix) {\n    matrix = Matrix.checkMatrix(matrix);\n    if (this.rows !== matrix.rows ||\n      this.columns !== matrix.columns) {\n      throw new RangeError('Matrices dimensions must be equal');\n    }\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) ^ matrix.get(i, j));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.xor = function xor(matrix, value) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.xor(value);\n  };\n\n  AbstractMatrix.prototype.leftShift = function leftShift(value) {\n    if (typeof value === 'number') return this.leftShiftS(value);\n    return this.leftShiftM(value);\n  };\n\n  AbstractMatrix.prototype.leftShiftS = function leftShiftS(value) {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) << value);\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.prototype.leftShiftM = function leftShiftM(matrix) {\n    matrix = Matrix.checkMatrix(matrix);\n    if (this.rows !== matrix.rows ||\n      this.columns !== matrix.columns) {\n      throw new RangeError('Matrices dimensions must be equal');\n    }\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) << matrix.get(i, j));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.leftShift = function leftShift(matrix, value) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.leftShift(value);\n  };\n\n  AbstractMatrix.prototype.signPropagatingRightShift = function signPropagatingRightShift(value) {\n    if (typeof value === 'number') return this.signPropagatingRightShiftS(value);\n    return this.signPropagatingRightShiftM(value);\n  };\n\n  AbstractMatrix.prototype.signPropagatingRightShiftS = function signPropagatingRightShiftS(value) {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) >> value);\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.prototype.signPropagatingRightShiftM = function signPropagatingRightShiftM(matrix) {\n    matrix = Matrix.checkMatrix(matrix);\n    if (this.rows !== matrix.rows ||\n      this.columns !== matrix.columns) {\n      throw new RangeError('Matrices dimensions must be equal');\n    }\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) >> matrix.get(i, j));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.signPropagatingRightShift = function signPropagatingRightShift(matrix, value) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.signPropagatingRightShift(value);\n  };\n\n  AbstractMatrix.prototype.rightShift = function rightShift(value) {\n    if (typeof value === 'number') return this.rightShiftS(value);\n    return this.rightShiftM(value);\n  };\n\n  AbstractMatrix.prototype.rightShiftS = function rightShiftS(value) {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) >>> value);\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.prototype.rightShiftM = function rightShiftM(matrix) {\n    matrix = Matrix.checkMatrix(matrix);\n    if (this.rows !== matrix.rows ||\n      this.columns !== matrix.columns) {\n      throw new RangeError('Matrices dimensions must be equal');\n    }\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) >>> matrix.get(i, j));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.rightShift = function rightShift(matrix, value) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.rightShift(value);\n  };\n  AbstractMatrix.prototype.zeroFillRightShift = AbstractMatrix.prototype.rightShift;\n  AbstractMatrix.prototype.zeroFillRightShiftS = AbstractMatrix.prototype.rightShiftS;\n  AbstractMatrix.prototype.zeroFillRightShiftM = AbstractMatrix.prototype.rightShiftM;\n  AbstractMatrix.zeroFillRightShift = AbstractMatrix.rightShift;\n\n  AbstractMatrix.prototype.not = function not() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, ~(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.not = function not(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.not();\n  };\n\n  AbstractMatrix.prototype.abs = function abs() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.abs(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.abs = function abs(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.abs();\n  };\n\n  AbstractMatrix.prototype.acos = function acos() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.acos(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.acos = function acos(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.acos();\n  };\n\n  AbstractMatrix.prototype.acosh = function acosh() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.acosh(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.acosh = function acosh(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.acosh();\n  };\n\n  AbstractMatrix.prototype.asin = function asin() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.asin(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.asin = function asin(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.asin();\n  };\n\n  AbstractMatrix.prototype.asinh = function asinh() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.asinh(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.asinh = function asinh(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.asinh();\n  };\n\n  AbstractMatrix.prototype.atan = function atan() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.atan(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.atan = function atan(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.atan();\n  };\n\n  AbstractMatrix.prototype.atanh = function atanh() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.atanh(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.atanh = function atanh(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.atanh();\n  };\n\n  AbstractMatrix.prototype.cbrt = function cbrt() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.cbrt(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.cbrt = function cbrt(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.cbrt();\n  };\n\n  AbstractMatrix.prototype.ceil = function ceil() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.ceil(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.ceil = function ceil(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.ceil();\n  };\n\n  AbstractMatrix.prototype.clz32 = function clz32() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.clz32(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.clz32 = function clz32(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.clz32();\n  };\n\n  AbstractMatrix.prototype.cos = function cos() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.cos(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.cos = function cos(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.cos();\n  };\n\n  AbstractMatrix.prototype.cosh = function cosh() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.cosh(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.cosh = function cosh(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.cosh();\n  };\n\n  AbstractMatrix.prototype.exp = function exp() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.exp(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.exp = function exp(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.exp();\n  };\n\n  AbstractMatrix.prototype.expm1 = function expm1() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.expm1(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.expm1 = function expm1(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.expm1();\n  };\n\n  AbstractMatrix.prototype.floor = function floor() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.floor(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.floor = function floor(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.floor();\n  };\n\n  AbstractMatrix.prototype.fround = function fround() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.fround(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.fround = function fround(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.fround();\n  };\n\n  AbstractMatrix.prototype.log = function log() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.log(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.log = function log(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.log();\n  };\n\n  AbstractMatrix.prototype.log1p = function log1p() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.log1p(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.log1p = function log1p(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.log1p();\n  };\n\n  AbstractMatrix.prototype.log10 = function log10() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.log10(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.log10 = function log10(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.log10();\n  };\n\n  AbstractMatrix.prototype.log2 = function log2() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.log2(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.log2 = function log2(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.log2();\n  };\n\n  AbstractMatrix.prototype.round = function round() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.round(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.round = function round(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.round();\n  };\n\n  AbstractMatrix.prototype.sign = function sign() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.sign(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.sign = function sign(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.sign();\n  };\n\n  AbstractMatrix.prototype.sin = function sin() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.sin(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.sin = function sin(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.sin();\n  };\n\n  AbstractMatrix.prototype.sinh = function sinh() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.sinh(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.sinh = function sinh(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.sinh();\n  };\n\n  AbstractMatrix.prototype.sqrt = function sqrt() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.sqrt(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.sqrt = function sqrt(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.sqrt();\n  };\n\n  AbstractMatrix.prototype.tan = function tan() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.tan(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.tan = function tan(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.tan();\n  };\n\n  AbstractMatrix.prototype.tanh = function tanh() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.tanh(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.tanh = function tanh(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.tanh();\n  };\n\n  AbstractMatrix.prototype.trunc = function trunc() {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, Math.trunc(this.get(i, j)));\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.trunc = function trunc(matrix) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.trunc();\n  };\n\n  AbstractMatrix.pow = function pow(matrix, arg0) {\n    const newMatrix = new Matrix(matrix);\n    return newMatrix.pow(arg0);\n  };\n\n  AbstractMatrix.prototype.pow = function pow(value) {\n    if (typeof value === 'number') return this.powS(value);\n    return this.powM(value);\n  };\n\n  AbstractMatrix.prototype.powS = function powS(value) {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) ** value);\n      }\n    }\n    return this;\n  };\n\n  AbstractMatrix.prototype.powM = function powM(matrix) {\n    matrix = Matrix.checkMatrix(matrix);\n    if (this.rows !== matrix.rows ||\n      this.columns !== matrix.columns) {\n      throw new RangeError('Matrices dimensions must be equal');\n    }\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) ** matrix.get(i, j));\n      }\n    }\n    return this;\n  };\n}\n\n/**\n * @private\n * Check that a row index is not out of bounds\n * @param {Matrix} matrix\n * @param {number} index\n * @param {boolean} [outer]\n */\nfunction checkRowIndex(matrix, index, outer) {\n  let max = outer ? matrix.rows : matrix.rows - 1;\n  if (index < 0 || index > max) {\n    throw new RangeError('Row index out of range');\n  }\n}\n\n/**\n * @private\n * Check that a column index is not out of bounds\n * @param {Matrix} matrix\n * @param {number} index\n * @param {boolean} [outer]\n */\nfunction checkColumnIndex(matrix, index, outer) {\n  let max = outer ? matrix.columns : matrix.columns - 1;\n  if (index < 0 || index > max) {\n    throw new RangeError('Column index out of range');\n  }\n}\n\n/**\n * @private\n * Check that the provided vector is an array with the right length\n * @param {Matrix} matrix\n * @param {Array|Matrix} vector\n * @return {Array}\n * @throws {RangeError}\n */\nfunction checkRowVector(matrix, vector) {\n  if (vector.to1DArray) {\n    vector = vector.to1DArray();\n  }\n  if (vector.length !== matrix.columns) {\n    throw new RangeError(\n      'vector size must be the same as the number of columns',\n    );\n  }\n  return vector;\n}\n\n/**\n * @private\n * Check that the provided vector is an array with the right length\n * @param {Matrix} matrix\n * @param {Array|Matrix} vector\n * @return {Array}\n * @throws {RangeError}\n */\nfunction checkColumnVector(matrix, vector) {\n  if (vector.to1DArray) {\n    vector = vector.to1DArray();\n  }\n  if (vector.length !== matrix.rows) {\n    throw new RangeError('vector size must be the same as the number of rows');\n  }\n  return vector;\n}\n\nfunction checkRowIndices(matrix, rowIndices) {\n  if (!isAnyArray.isAnyArray(rowIndices)) {\n    throw new TypeError('row indices must be an array');\n  }\n\n  for (let i = 0; i < rowIndices.length; i++) {\n    if (rowIndices[i] < 0 || rowIndices[i] >= matrix.rows) {\n      throw new RangeError('row indices are out of range');\n    }\n  }\n}\n\nfunction checkColumnIndices(matrix, columnIndices) {\n  if (!isAnyArray.isAnyArray(columnIndices)) {\n    throw new TypeError('column indices must be an array');\n  }\n\n  for (let i = 0; i < columnIndices.length; i++) {\n    if (columnIndices[i] < 0 || columnIndices[i] >= matrix.columns) {\n      throw new RangeError('column indices are out of range');\n    }\n  }\n}\n\nfunction checkRange(matrix, startRow, endRow, startColumn, endColumn) {\n  if (arguments.length !== 5) {\n    throw new RangeError('expected 4 arguments');\n  }\n  checkNumber('startRow', startRow);\n  checkNumber('endRow', endRow);\n  checkNumber('startColumn', startColumn);\n  checkNumber('endColumn', endColumn);\n  if (\n    startRow > endRow ||\n    startColumn > endColumn ||\n    startRow < 0 ||\n    startRow >= matrix.rows ||\n    endRow < 0 ||\n    endRow >= matrix.rows ||\n    startColumn < 0 ||\n    startColumn >= matrix.columns ||\n    endColumn < 0 ||\n    endColumn >= matrix.columns\n  ) {\n    throw new RangeError('Submatrix indices are out of range');\n  }\n}\n\nfunction newArray(length, value = 0) {\n  let array = [];\n  for (let i = 0; i < length; i++) {\n    array.push(value);\n  }\n  return array;\n}\n\nfunction checkNumber(name, value) {\n  if (typeof value !== 'number') {\n    throw new TypeError(`${name} must be a number`);\n  }\n}\n\nfunction checkNonEmpty(matrix) {\n  if (matrix.isEmpty()) {\n    throw new Error('Empty matrix has no elements to index');\n  }\n}\n\nfunction sumByRow(matrix) {\n  let sum = newArray(matrix.rows);\n  for (let i = 0; i < matrix.rows; ++i) {\n    for (let j = 0; j < matrix.columns; ++j) {\n      sum[i] += matrix.get(i, j);\n    }\n  }\n  return sum;\n}\n\nfunction sumByColumn(matrix) {\n  let sum = newArray(matrix.columns);\n  for (let i = 0; i < matrix.rows; ++i) {\n    for (let j = 0; j < matrix.columns; ++j) {\n      sum[j] += matrix.get(i, j);\n    }\n  }\n  return sum;\n}\n\nfunction sumAll(matrix) {\n  let v = 0;\n  for (let i = 0; i < matrix.rows; i++) {\n    for (let j = 0; j < matrix.columns; j++) {\n      v += matrix.get(i, j);\n    }\n  }\n  return v;\n}\n\nfunction productByRow(matrix) {\n  let sum = newArray(matrix.rows, 1);\n  for (let i = 0; i < matrix.rows; ++i) {\n    for (let j = 0; j < matrix.columns; ++j) {\n      sum[i] *= matrix.get(i, j);\n    }\n  }\n  return sum;\n}\n\nfunction productByColumn(matrix) {\n  let sum = newArray(matrix.columns, 1);\n  for (let i = 0; i < matrix.rows; ++i) {\n    for (let j = 0; j < matrix.columns; ++j) {\n      sum[j] *= matrix.get(i, j);\n    }\n  }\n  return sum;\n}\n\nfunction productAll(matrix) {\n  let v = 1;\n  for (let i = 0; i < matrix.rows; i++) {\n    for (let j = 0; j < matrix.columns; j++) {\n      v *= matrix.get(i, j);\n    }\n  }\n  return v;\n}\n\nfunction varianceByRow(matrix, unbiased, mean) {\n  const rows = matrix.rows;\n  const cols = matrix.columns;\n  const variance = [];\n\n  for (let i = 0; i < rows; i++) {\n    let sum1 = 0;\n    let sum2 = 0;\n    let x = 0;\n    for (let j = 0; j < cols; j++) {\n      x = matrix.get(i, j) - mean[i];\n      sum1 += x;\n      sum2 += x * x;\n    }\n    if (unbiased) {\n      variance.push((sum2 - (sum1 * sum1) / cols) / (cols - 1));\n    } else {\n      variance.push((sum2 - (sum1 * sum1) / cols) / cols);\n    }\n  }\n  return variance;\n}\n\nfunction varianceByColumn(matrix, unbiased, mean) {\n  const rows = matrix.rows;\n  const cols = matrix.columns;\n  const variance = [];\n\n  for (let j = 0; j < cols; j++) {\n    let sum1 = 0;\n    let sum2 = 0;\n    let x = 0;\n    for (let i = 0; i < rows; i++) {\n      x = matrix.get(i, j) - mean[j];\n      sum1 += x;\n      sum2 += x * x;\n    }\n    if (unbiased) {\n      variance.push((sum2 - (sum1 * sum1) / rows) / (rows - 1));\n    } else {\n      variance.push((sum2 - (sum1 * sum1) / rows) / rows);\n    }\n  }\n  return variance;\n}\n\nfunction varianceAll(matrix, unbiased, mean) {\n  const rows = matrix.rows;\n  const cols = matrix.columns;\n  const size = rows * cols;\n\n  let sum1 = 0;\n  let sum2 = 0;\n  let x = 0;\n  for (let i = 0; i < rows; i++) {\n    for (let j = 0; j < cols; j++) {\n      x = matrix.get(i, j) - mean;\n      sum1 += x;\n      sum2 += x * x;\n    }\n  }\n  if (unbiased) {\n    return (sum2 - (sum1 * sum1) / size) / (size - 1);\n  } else {\n    return (sum2 - (sum1 * sum1) / size) / size;\n  }\n}\n\nfunction centerByRow(matrix, mean) {\n  for (let i = 0; i < matrix.rows; i++) {\n    for (let j = 0; j < matrix.columns; j++) {\n      matrix.set(i, j, matrix.get(i, j) - mean[i]);\n    }\n  }\n}\n\nfunction centerByColumn(matrix, mean) {\n  for (let i = 0; i < matrix.rows; i++) {\n    for (let j = 0; j < matrix.columns; j++) {\n      matrix.set(i, j, matrix.get(i, j) - mean[j]);\n    }\n  }\n}\n\nfunction centerAll(matrix, mean) {\n  for (let i = 0; i < matrix.rows; i++) {\n    for (let j = 0; j < matrix.columns; j++) {\n      matrix.set(i, j, matrix.get(i, j) - mean);\n    }\n  }\n}\n\nfunction getScaleByRow(matrix) {\n  const scale = [];\n  for (let i = 0; i < matrix.rows; i++) {\n    let sum = 0;\n    for (let j = 0; j < matrix.columns; j++) {\n      sum += matrix.get(i, j) ** 2 / (matrix.columns - 1);\n    }\n    scale.push(Math.sqrt(sum));\n  }\n  return scale;\n}\n\nfunction scaleByRow(matrix, scale) {\n  for (let i = 0; i < matrix.rows; i++) {\n    for (let j = 0; j < matrix.columns; j++) {\n      matrix.set(i, j, matrix.get(i, j) / scale[i]);\n    }\n  }\n}\n\nfunction getScaleByColumn(matrix) {\n  const scale = [];\n  for (let j = 0; j < matrix.columns; j++) {\n    let sum = 0;\n    for (let i = 0; i < matrix.rows; i++) {\n      sum += matrix.get(i, j) ** 2 / (matrix.rows - 1);\n    }\n    scale.push(Math.sqrt(sum));\n  }\n  return scale;\n}\n\nfunction scaleByColumn(matrix, scale) {\n  for (let i = 0; i < matrix.rows; i++) {\n    for (let j = 0; j < matrix.columns; j++) {\n      matrix.set(i, j, matrix.get(i, j) / scale[j]);\n    }\n  }\n}\n\nfunction getScaleAll(matrix) {\n  const divider = matrix.size - 1;\n  let sum = 0;\n  for (let j = 0; j < matrix.columns; j++) {\n    for (let i = 0; i < matrix.rows; i++) {\n      sum += matrix.get(i, j) ** 2 / divider;\n    }\n  }\n  return Math.sqrt(sum);\n}\n\nfunction scaleAll(matrix, scale) {\n  for (let i = 0; i < matrix.rows; i++) {\n    for (let j = 0; j < matrix.columns; j++) {\n      matrix.set(i, j, matrix.get(i, j) / scale);\n    }\n  }\n}\n\nclass AbstractMatrix {\n  static from1DArray(newRows, newColumns, newData) {\n    let length = newRows * newColumns;\n    if (length !== newData.length) {\n      throw new RangeError('data length does not match given dimensions');\n    }\n    let newMatrix = new Matrix(newRows, newColumns);\n    for (let row = 0; row < newRows; row++) {\n      for (let column = 0; column < newColumns; column++) {\n        newMatrix.set(row, column, newData[row * newColumns + column]);\n      }\n    }\n    return newMatrix;\n  }\n\n  static rowVector(newData) {\n    let vector = new Matrix(1, newData.length);\n    for (let i = 0; i < newData.length; i++) {\n      vector.set(0, i, newData[i]);\n    }\n    return vector;\n  }\n\n  static columnVector(newData) {\n    let vector = new Matrix(newData.length, 1);\n    for (let i = 0; i < newData.length; i++) {\n      vector.set(i, 0, newData[i]);\n    }\n    return vector;\n  }\n\n  static zeros(rows, columns) {\n    return new Matrix(rows, columns);\n  }\n\n  static ones(rows, columns) {\n    return new Matrix(rows, columns).fill(1);\n  }\n\n  static rand(rows, columns, options = {}) {\n    if (typeof options !== 'object') {\n      throw new TypeError('options must be an object');\n    }\n    const { random = Math.random } = options;\n    let matrix = new Matrix(rows, columns);\n    for (let i = 0; i < rows; i++) {\n      for (let j = 0; j < columns; j++) {\n        matrix.set(i, j, random());\n      }\n    }\n    return matrix;\n  }\n\n  static randInt(rows, columns, options = {}) {\n    if (typeof options !== 'object') {\n      throw new TypeError('options must be an object');\n    }\n    const { min = 0, max = 1000, random = Math.random } = options;\n    if (!Number.isInteger(min)) throw new TypeError('min must be an integer');\n    if (!Number.isInteger(max)) throw new TypeError('max must be an integer');\n    if (min >= max) throw new RangeError('min must be smaller than max');\n    let interval = max - min;\n    let matrix = new Matrix(rows, columns);\n    for (let i = 0; i < rows; i++) {\n      for (let j = 0; j < columns; j++) {\n        let value = min + Math.round(random() * interval);\n        matrix.set(i, j, value);\n      }\n    }\n    return matrix;\n  }\n\n  static eye(rows, columns, value) {\n    if (columns === undefined) columns = rows;\n    if (value === undefined) value = 1;\n    let min = Math.min(rows, columns);\n    let matrix = this.zeros(rows, columns);\n    for (let i = 0; i < min; i++) {\n      matrix.set(i, i, value);\n    }\n    return matrix;\n  }\n\n  static diag(data, rows, columns) {\n    let l = data.length;\n    if (rows === undefined) rows = l;\n    if (columns === undefined) columns = rows;\n    let min = Math.min(l, rows, columns);\n    let matrix = this.zeros(rows, columns);\n    for (let i = 0; i < min; i++) {\n      matrix.set(i, i, data[i]);\n    }\n    return matrix;\n  }\n\n  static min(matrix1, matrix2) {\n    matrix1 = this.checkMatrix(matrix1);\n    matrix2 = this.checkMatrix(matrix2);\n    let rows = matrix1.rows;\n    let columns = matrix1.columns;\n    let result = new Matrix(rows, columns);\n    for (let i = 0; i < rows; i++) {\n      for (let j = 0; j < columns; j++) {\n        result.set(i, j, Math.min(matrix1.get(i, j), matrix2.get(i, j)));\n      }\n    }\n    return result;\n  }\n\n  static max(matrix1, matrix2) {\n    matrix1 = this.checkMatrix(matrix1);\n    matrix2 = this.checkMatrix(matrix2);\n    let rows = matrix1.rows;\n    let columns = matrix1.columns;\n    let result = new this(rows, columns);\n    for (let i = 0; i < rows; i++) {\n      for (let j = 0; j < columns; j++) {\n        result.set(i, j, Math.max(matrix1.get(i, j), matrix2.get(i, j)));\n      }\n    }\n    return result;\n  }\n\n  static checkMatrix(value) {\n    return AbstractMatrix.isMatrix(value) ? value : new Matrix(value);\n  }\n\n  static isMatrix(value) {\n    return value != null && value.klass === 'Matrix';\n  }\n\n  get size() {\n    return this.rows * this.columns;\n  }\n\n  apply(callback) {\n    if (typeof callback !== 'function') {\n      throw new TypeError('callback must be a function');\n    }\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        callback.call(this, i, j);\n      }\n    }\n    return this;\n  }\n\n  to1DArray() {\n    let array = [];\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        array.push(this.get(i, j));\n      }\n    }\n    return array;\n  }\n\n  to2DArray() {\n    let copy = [];\n    for (let i = 0; i < this.rows; i++) {\n      copy.push([]);\n      for (let j = 0; j < this.columns; j++) {\n        copy[i].push(this.get(i, j));\n      }\n    }\n    return copy;\n  }\n\n  toJSON() {\n    return this.to2DArray();\n  }\n\n  isRowVector() {\n    return this.rows === 1;\n  }\n\n  isColumnVector() {\n    return this.columns === 1;\n  }\n\n  isVector() {\n    return this.rows === 1 || this.columns === 1;\n  }\n\n  isSquare() {\n    return this.rows === this.columns;\n  }\n\n  isEmpty() {\n    return this.rows === 0 || this.columns === 0;\n  }\n\n  isSymmetric() {\n    if (this.isSquare()) {\n      for (let i = 0; i < this.rows; i++) {\n        for (let j = 0; j <= i; j++) {\n          if (this.get(i, j) !== this.get(j, i)) {\n            return false;\n          }\n        }\n      }\n      return true;\n    }\n    return false;\n  }\n\n  isDistance() {\n    if (!this.isSymmetric()) return false;\n\n    for (let i = 0; i < this.rows; i++) {\n      if (this.get(i, i) !== 0) return false;\n    }\n\n    return true;\n  }\n\n  isEchelonForm() {\n    let i = 0;\n    let j = 0;\n    let previousColumn = -1;\n    let isEchelonForm = true;\n    let checked = false;\n    while (i < this.rows && isEchelonForm) {\n      j = 0;\n      checked = false;\n      while (j < this.columns && checked === false) {\n        if (this.get(i, j) === 0) {\n          j++;\n        } else if (this.get(i, j) === 1 && j > previousColumn) {\n          checked = true;\n          previousColumn = j;\n        } else {\n          isEchelonForm = false;\n          checked = true;\n        }\n      }\n      i++;\n    }\n    return isEchelonForm;\n  }\n\n  isReducedEchelonForm() {\n    let i = 0;\n    let j = 0;\n    let previousColumn = -1;\n    let isReducedEchelonForm = true;\n    let checked = false;\n    while (i < this.rows && isReducedEchelonForm) {\n      j = 0;\n      checked = false;\n      while (j < this.columns && checked === false) {\n        if (this.get(i, j) === 0) {\n          j++;\n        } else if (this.get(i, j) === 1 && j > previousColumn) {\n          checked = true;\n          previousColumn = j;\n        } else {\n          isReducedEchelonForm = false;\n          checked = true;\n        }\n      }\n      for (let k = j + 1; k < this.rows; k++) {\n        if (this.get(i, k) !== 0) {\n          isReducedEchelonForm = false;\n        }\n      }\n      i++;\n    }\n    return isReducedEchelonForm;\n  }\n\n  echelonForm() {\n    let result = this.clone();\n    let h = 0;\n    let k = 0;\n    while (h < result.rows && k < result.columns) {\n      let iMax = h;\n      for (let i = h; i < result.rows; i++) {\n        if (result.get(i, k) > result.get(iMax, k)) {\n          iMax = i;\n        }\n      }\n      if (result.get(iMax, k) === 0) {\n        k++;\n      } else {\n        result.swapRows(h, iMax);\n        let tmp = result.get(h, k);\n        for (let j = k; j < result.columns; j++) {\n          result.set(h, j, result.get(h, j) / tmp);\n        }\n        for (let i = h + 1; i < result.rows; i++) {\n          let factor = result.get(i, k) / result.get(h, k);\n          result.set(i, k, 0);\n          for (let j = k + 1; j < result.columns; j++) {\n            result.set(i, j, result.get(i, j) - result.get(h, j) * factor);\n          }\n        }\n        h++;\n        k++;\n      }\n    }\n    return result;\n  }\n\n  reducedEchelonForm() {\n    let result = this.echelonForm();\n    let m = result.columns;\n    let n = result.rows;\n    let h = n - 1;\n    while (h >= 0) {\n      if (result.maxRow(h) === 0) {\n        h--;\n      } else {\n        let p = 0;\n        let pivot = false;\n        while (p < n && pivot === false) {\n          if (result.get(h, p) === 1) {\n            pivot = true;\n          } else {\n            p++;\n          }\n        }\n        for (let i = 0; i < h; i++) {\n          let factor = result.get(i, p);\n          for (let j = p; j < m; j++) {\n            let tmp = result.get(i, j) - factor * result.get(h, j);\n            result.set(i, j, tmp);\n          }\n        }\n        h--;\n      }\n    }\n    return result;\n  }\n\n  set() {\n    throw new Error('set method is unimplemented');\n  }\n\n  get() {\n    throw new Error('get method is unimplemented');\n  }\n\n  repeat(options = {}) {\n    if (typeof options !== 'object') {\n      throw new TypeError('options must be an object');\n    }\n    const { rows = 1, columns = 1 } = options;\n    if (!Number.isInteger(rows) || rows <= 0) {\n      throw new TypeError('rows must be a positive integer');\n    }\n    if (!Number.isInteger(columns) || columns <= 0) {\n      throw new TypeError('columns must be a positive integer');\n    }\n    let matrix = new Matrix(this.rows * rows, this.columns * columns);\n    for (let i = 0; i < rows; i++) {\n      for (let j = 0; j < columns; j++) {\n        matrix.setSubMatrix(this, this.rows * i, this.columns * j);\n      }\n    }\n    return matrix;\n  }\n\n  fill(value) {\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, value);\n      }\n    }\n    return this;\n  }\n\n  neg() {\n    return this.mulS(-1);\n  }\n\n  getRow(index) {\n    checkRowIndex(this, index);\n    let row = [];\n    for (let i = 0; i < this.columns; i++) {\n      row.push(this.get(index, i));\n    }\n    return row;\n  }\n\n  getRowVector(index) {\n    return Matrix.rowVector(this.getRow(index));\n  }\n\n  setRow(index, array) {\n    checkRowIndex(this, index);\n    array = checkRowVector(this, array);\n    for (let i = 0; i < this.columns; i++) {\n      this.set(index, i, array[i]);\n    }\n    return this;\n  }\n\n  swapRows(row1, row2) {\n    checkRowIndex(this, row1);\n    checkRowIndex(this, row2);\n    for (let i = 0; i < this.columns; i++) {\n      let temp = this.get(row1, i);\n      this.set(row1, i, this.get(row2, i));\n      this.set(row2, i, temp);\n    }\n    return this;\n  }\n\n  getColumn(index) {\n    checkColumnIndex(this, index);\n    let column = [];\n    for (let i = 0; i < this.rows; i++) {\n      column.push(this.get(i, index));\n    }\n    return column;\n  }\n\n  getColumnVector(index) {\n    return Matrix.columnVector(this.getColumn(index));\n  }\n\n  setColumn(index, array) {\n    checkColumnIndex(this, index);\n    array = checkColumnVector(this, array);\n    for (let i = 0; i < this.rows; i++) {\n      this.set(i, index, array[i]);\n    }\n    return this;\n  }\n\n  swapColumns(column1, column2) {\n    checkColumnIndex(this, column1);\n    checkColumnIndex(this, column2);\n    for (let i = 0; i < this.rows; i++) {\n      let temp = this.get(i, column1);\n      this.set(i, column1, this.get(i, column2));\n      this.set(i, column2, temp);\n    }\n    return this;\n  }\n\n  addRowVector(vector) {\n    vector = checkRowVector(this, vector);\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) + vector[j]);\n      }\n    }\n    return this;\n  }\n\n  subRowVector(vector) {\n    vector = checkRowVector(this, vector);\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) - vector[j]);\n      }\n    }\n    return this;\n  }\n\n  mulRowVector(vector) {\n    vector = checkRowVector(this, vector);\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) * vector[j]);\n      }\n    }\n    return this;\n  }\n\n  divRowVector(vector) {\n    vector = checkRowVector(this, vector);\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) / vector[j]);\n      }\n    }\n    return this;\n  }\n\n  addColumnVector(vector) {\n    vector = checkColumnVector(this, vector);\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) + vector[i]);\n      }\n    }\n    return this;\n  }\n\n  subColumnVector(vector) {\n    vector = checkColumnVector(this, vector);\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) - vector[i]);\n      }\n    }\n    return this;\n  }\n\n  mulColumnVector(vector) {\n    vector = checkColumnVector(this, vector);\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) * vector[i]);\n      }\n    }\n    return this;\n  }\n\n  divColumnVector(vector) {\n    vector = checkColumnVector(this, vector);\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        this.set(i, j, this.get(i, j) / vector[i]);\n      }\n    }\n    return this;\n  }\n\n  mulRow(index, value) {\n    checkRowIndex(this, index);\n    for (let i = 0; i < this.columns; i++) {\n      this.set(index, i, this.get(index, i) * value);\n    }\n    return this;\n  }\n\n  mulColumn(index, value) {\n    checkColumnIndex(this, index);\n    for (let i = 0; i < this.rows; i++) {\n      this.set(i, index, this.get(i, index) * value);\n    }\n    return this;\n  }\n\n  max(by) {\n    if (this.isEmpty()) {\n      return NaN;\n    }\n    switch (by) {\n      case 'row': {\n        const max = new Array(this.rows).fill(Number.NEGATIVE_INFINITY);\n        for (let row = 0; row < this.rows; row++) {\n          for (let column = 0; column < this.columns; column++) {\n            if (this.get(row, column) > max[row]) {\n              max[row] = this.get(row, column);\n            }\n          }\n        }\n        return max;\n      }\n      case 'column': {\n        const max = new Array(this.columns).fill(Number.NEGATIVE_INFINITY);\n        for (let row = 0; row < this.rows; row++) {\n          for (let column = 0; column < this.columns; column++) {\n            if (this.get(row, column) > max[column]) {\n              max[column] = this.get(row, column);\n            }\n          }\n        }\n        return max;\n      }\n      case undefined: {\n        let max = this.get(0, 0);\n        for (let row = 0; row < this.rows; row++) {\n          for (let column = 0; column < this.columns; column++) {\n            if (this.get(row, column) > max) {\n              max = this.get(row, column);\n            }\n          }\n        }\n        return max;\n      }\n      default:\n        throw new Error(`invalid option: ${by}`);\n    }\n  }\n\n  maxIndex() {\n    checkNonEmpty(this);\n    let v = this.get(0, 0);\n    let idx = [0, 0];\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        if (this.get(i, j) > v) {\n          v = this.get(i, j);\n          idx[0] = i;\n          idx[1] = j;\n        }\n      }\n    }\n    return idx;\n  }\n\n  min(by) {\n    if (this.isEmpty()) {\n      return NaN;\n    }\n\n    switch (by) {\n      case 'row': {\n        const min = new Array(this.rows).fill(Number.POSITIVE_INFINITY);\n        for (let row = 0; row < this.rows; row++) {\n          for (let column = 0; column < this.columns; column++) {\n            if (this.get(row, column) < min[row]) {\n              min[row] = this.get(row, column);\n            }\n          }\n        }\n        return min;\n      }\n      case 'column': {\n        const min = new Array(this.columns).fill(Number.POSITIVE_INFINITY);\n        for (let row = 0; row < this.rows; row++) {\n          for (let column = 0; column < this.columns; column++) {\n            if (this.get(row, column) < min[column]) {\n              min[column] = this.get(row, column);\n            }\n          }\n        }\n        return min;\n      }\n      case undefined: {\n        let min = this.get(0, 0);\n        for (let row = 0; row < this.rows; row++) {\n          for (let column = 0; column < this.columns; column++) {\n            if (this.get(row, column) < min) {\n              min = this.get(row, column);\n            }\n          }\n        }\n        return min;\n      }\n      default:\n        throw new Error(`invalid option: ${by}`);\n    }\n  }\n\n  minIndex() {\n    checkNonEmpty(this);\n    let v = this.get(0, 0);\n    let idx = [0, 0];\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        if (this.get(i, j) < v) {\n          v = this.get(i, j);\n          idx[0] = i;\n          idx[1] = j;\n        }\n      }\n    }\n    return idx;\n  }\n\n  maxRow(row) {\n    checkRowIndex(this, row);\n    if (this.isEmpty()) {\n      return NaN;\n    }\n    let v = this.get(row, 0);\n    for (let i = 1; i < this.columns; i++) {\n      if (this.get(row, i) > v) {\n        v = this.get(row, i);\n      }\n    }\n    return v;\n  }\n\n  maxRowIndex(row) {\n    checkRowIndex(this, row);\n    checkNonEmpty(this);\n    let v = this.get(row, 0);\n    let idx = [row, 0];\n    for (let i = 1; i < this.columns; i++) {\n      if (this.get(row, i) > v) {\n        v = this.get(row, i);\n        idx[1] = i;\n      }\n    }\n    return idx;\n  }\n\n  minRow(row) {\n    checkRowIndex(this, row);\n    if (this.isEmpty()) {\n      return NaN;\n    }\n    let v = this.get(row, 0);\n    for (let i = 1; i < this.columns; i++) {\n      if (this.get(row, i) < v) {\n        v = this.get(row, i);\n      }\n    }\n    return v;\n  }\n\n  minRowIndex(row) {\n    checkRowIndex(this, row);\n    checkNonEmpty(this);\n    let v = this.get(row, 0);\n    let idx = [row, 0];\n    for (let i = 1; i < this.columns; i++) {\n      if (this.get(row, i) < v) {\n        v = this.get(row, i);\n        idx[1] = i;\n      }\n    }\n    return idx;\n  }\n\n  maxColumn(column) {\n    checkColumnIndex(this, column);\n    if (this.isEmpty()) {\n      return NaN;\n    }\n    let v = this.get(0, column);\n    for (let i = 1; i < this.rows; i++) {\n      if (this.get(i, column) > v) {\n        v = this.get(i, column);\n      }\n    }\n    return v;\n  }\n\n  maxColumnIndex(column) {\n    checkColumnIndex(this, column);\n    checkNonEmpty(this);\n    let v = this.get(0, column);\n    let idx = [0, column];\n    for (let i = 1; i < this.rows; i++) {\n      if (this.get(i, column) > v) {\n        v = this.get(i, column);\n        idx[0] = i;\n      }\n    }\n    return idx;\n  }\n\n  minColumn(column) {\n    checkColumnIndex(this, column);\n    if (this.isEmpty()) {\n      return NaN;\n    }\n    let v = this.get(0, column);\n    for (let i = 1; i < this.rows; i++) {\n      if (this.get(i, column) < v) {\n        v = this.get(i, column);\n      }\n    }\n    return v;\n  }\n\n  minColumnIndex(column) {\n    checkColumnIndex(this, column);\n    checkNonEmpty(this);\n    let v = this.get(0, column);\n    let idx = [0, column];\n    for (let i = 1; i < this.rows; i++) {\n      if (this.get(i, column) < v) {\n        v = this.get(i, column);\n        idx[0] = i;\n      }\n    }\n    return idx;\n  }\n\n  diag() {\n    let min = Math.min(this.rows, this.columns);\n    let diag = [];\n    for (let i = 0; i < min; i++) {\n      diag.push(this.get(i, i));\n    }\n    return diag;\n  }\n\n  norm(type = 'frobenius') {\n    switch (type) {\n      case 'max':\n        return this.max();\n      case 'frobenius':\n        return Math.sqrt(this.dot(this));\n      default:\n        throw new RangeError(`unknown norm type: ${type}`);\n    }\n  }\n\n  cumulativeSum() {\n    let sum = 0;\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        sum += this.get(i, j);\n        this.set(i, j, sum);\n      }\n    }\n    return this;\n  }\n\n  dot(vector2) {\n    if (AbstractMatrix.isMatrix(vector2)) vector2 = vector2.to1DArray();\n    let vector1 = this.to1DArray();\n    if (vector1.length !== vector2.length) {\n      throw new RangeError('vectors do not have the same size');\n    }\n    let dot = 0;\n    for (let i = 0; i < vector1.length; i++) {\n      dot += vector1[i] * vector2[i];\n    }\n    return dot;\n  }\n\n  mmul(other) {\n    other = Matrix.checkMatrix(other);\n\n    let m = this.rows;\n    let n = this.columns;\n    let p = other.columns;\n\n    let result = new Matrix(m, p);\n\n    let Bcolj = new Float64Array(n);\n    for (let j = 0; j < p; j++) {\n      for (let k = 0; k < n; k++) {\n        Bcolj[k] = other.get(k, j);\n      }\n\n      for (let i = 0; i < m; i++) {\n        let s = 0;\n        for (let k = 0; k < n; k++) {\n          s += this.get(i, k) * Bcolj[k];\n        }\n\n        result.set(i, j, s);\n      }\n    }\n    return result;\n  }\n\n  mpow(scalar) {\n    if (!this.isSquare()) {\n      throw new RangeError('Matrix must be square');\n    }\n    if (!Number.isInteger(scalar) || scalar < 0) {\n      throw new RangeError('Exponent must be a non-negative integer');\n    }\n    // Russian Peasant exponentiation, i.e. exponentiation by squaring\n    let result = Matrix.eye(this.rows);\n    let bb = this;\n    // Note: Don't bit shift. In JS, that would truncate at 32 bits\n    for (let e = scalar; e > 1; e /= 2) {\n      if ((e & 1) !== 0) {\n        result = result.mmul(bb);\n      }\n      bb = bb.mmul(bb);\n    }\n    return result;\n  }\n\n  strassen2x2(other) {\n    other = Matrix.checkMatrix(other);\n    let result = new Matrix(2, 2);\n    const a11 = this.get(0, 0);\n    const b11 = other.get(0, 0);\n    const a12 = this.get(0, 1);\n    const b12 = other.get(0, 1);\n    const a21 = this.get(1, 0);\n    const b21 = other.get(1, 0);\n    const a22 = this.get(1, 1);\n    const b22 = other.get(1, 1);\n\n    // Compute intermediate values.\n    const m1 = (a11 + a22) * (b11 + b22);\n    const m2 = (a21 + a22) * b11;\n    const m3 = a11 * (b12 - b22);\n    const m4 = a22 * (b21 - b11);\n    const m5 = (a11 + a12) * b22;\n    const m6 = (a21 - a11) * (b11 + b12);\n    const m7 = (a12 - a22) * (b21 + b22);\n\n    // Combine intermediate values into the output.\n    const c00 = m1 + m4 - m5 + m7;\n    const c01 = m3 + m5;\n    const c10 = m2 + m4;\n    const c11 = m1 - m2 + m3 + m6;\n\n    result.set(0, 0, c00);\n    result.set(0, 1, c01);\n    result.set(1, 0, c10);\n    result.set(1, 1, c11);\n    return result;\n  }\n\n  strassen3x3(other) {\n    other = Matrix.checkMatrix(other);\n    let result = new Matrix(3, 3);\n\n    const a00 = this.get(0, 0);\n    const a01 = this.get(0, 1);\n    const a02 = this.get(0, 2);\n    const a10 = this.get(1, 0);\n    const a11 = this.get(1, 1);\n    const a12 = this.get(1, 2);\n    const a20 = this.get(2, 0);\n    const a21 = this.get(2, 1);\n    const a22 = this.get(2, 2);\n\n    const b00 = other.get(0, 0);\n    const b01 = other.get(0, 1);\n    const b02 = other.get(0, 2);\n    const b10 = other.get(1, 0);\n    const b11 = other.get(1, 1);\n    const b12 = other.get(1, 2);\n    const b20 = other.get(2, 0);\n    const b21 = other.get(2, 1);\n    const b22 = other.get(2, 2);\n\n    const m1 = (a00 + a01 + a02 - a10 - a11 - a21 - a22) * b11;\n    const m2 = (a00 - a10) * (-b01 + b11);\n    const m3 = a11 * (-b00 + b01 + b10 - b11 - b12 - b20 + b22);\n    const m4 = (-a00 + a10 + a11) * (b00 - b01 + b11);\n    const m5 = (a10 + a11) * (-b00 + b01);\n    const m6 = a00 * b00;\n    const m7 = (-a00 + a20 + a21) * (b00 - b02 + b12);\n    const m8 = (-a00 + a20) * (b02 - b12);\n    const m9 = (a20 + a21) * (-b00 + b02);\n    const m10 = (a00 + a01 + a02 - a11 - a12 - a20 - a21) * b12;\n    const m11 = a21 * (-b00 + b02 + b10 - b11 - b12 - b20 + b21);\n    const m12 = (-a02 + a21 + a22) * (b11 + b20 - b21);\n    const m13 = (a02 - a22) * (b11 - b21);\n    const m14 = a02 * b20;\n    const m15 = (a21 + a22) * (-b20 + b21);\n    const m16 = (-a02 + a11 + a12) * (b12 + b20 - b22);\n    const m17 = (a02 - a12) * (b12 - b22);\n    const m18 = (a11 + a12) * (-b20 + b22);\n    const m19 = a01 * b10;\n    const m20 = a12 * b21;\n    const m21 = a10 * b02;\n    const m22 = a20 * b01;\n    const m23 = a22 * b22;\n\n    const c00 = m6 + m14 + m19;\n    const c01 = m1 + m4 + m5 + m6 + m12 + m14 + m15;\n    const c02 = m6 + m7 + m9 + m10 + m14 + m16 + m18;\n    const c10 = m2 + m3 + m4 + m6 + m14 + m16 + m17;\n    const c11 = m2 + m4 + m5 + m6 + m20;\n    const c12 = m14 + m16 + m17 + m18 + m21;\n    const c20 = m6 + m7 + m8 + m11 + m12 + m13 + m14;\n    const c21 = m12 + m13 + m14 + m15 + m22;\n    const c22 = m6 + m7 + m8 + m9 + m23;\n\n    result.set(0, 0, c00);\n    result.set(0, 1, c01);\n    result.set(0, 2, c02);\n    result.set(1, 0, c10);\n    result.set(1, 1, c11);\n    result.set(1, 2, c12);\n    result.set(2, 0, c20);\n    result.set(2, 1, c21);\n    result.set(2, 2, c22);\n    return result;\n  }\n\n  mmulStrassen(y) {\n    y = Matrix.checkMatrix(y);\n    let x = this.clone();\n    let r1 = x.rows;\n    let c1 = x.columns;\n    let r2 = y.rows;\n    let c2 = y.columns;\n    if (c1 !== r2) {\n      // eslint-disable-next-line no-console\n      console.warn(\n        `Multiplying ${r1} x ${c1} and ${r2} x ${c2} matrix: dimensions do not match.`,\n      );\n    }\n\n    // Put a matrix into the top left of a matrix of zeros.\n    // `rows` and `cols` are the dimensions of the output matrix.\n    function embed(mat, rows, cols) {\n      let r = mat.rows;\n      let c = mat.columns;\n      if (r === rows && c === cols) {\n        return mat;\n      } else {\n        let resultat = AbstractMatrix.zeros(rows, cols);\n        resultat = resultat.setSubMatrix(mat, 0, 0);\n        return resultat;\n      }\n    }\n\n    // Make sure both matrices are the same size.\n    // This is exclusively for simplicity:\n    // this algorithm can be implemented with matrices of different sizes.\n\n    let r = Math.max(r1, r2);\n    let c = Math.max(c1, c2);\n    x = embed(x, r, c);\n    y = embed(y, r, c);\n\n    // Our recursive multiplication function.\n    function blockMult(a, b, rows, cols) {\n      // For small matrices, resort to naive multiplication.\n      if (rows <= 512 || cols <= 512) {\n        return a.mmul(b); // a is equivalent to this\n      }\n\n      // Apply dynamic padding.\n      if (rows % 2 === 1 && cols % 2 === 1) {\n        a = embed(a, rows + 1, cols + 1);\n        b = embed(b, rows + 1, cols + 1);\n      } else if (rows % 2 === 1) {\n        a = embed(a, rows + 1, cols);\n        b = embed(b, rows + 1, cols);\n      } else if (cols % 2 === 1) {\n        a = embed(a, rows, cols + 1);\n        b = embed(b, rows, cols + 1);\n      }\n\n      let halfRows = parseInt(a.rows / 2, 10);\n      let halfCols = parseInt(a.columns / 2, 10);\n      // Subdivide input matrices.\n      let a11 = a.subMatrix(0, halfRows - 1, 0, halfCols - 1);\n      let b11 = b.subMatrix(0, halfRows - 1, 0, halfCols - 1);\n\n      let a12 = a.subMatrix(0, halfRows - 1, halfCols, a.columns - 1);\n      let b12 = b.subMatrix(0, halfRows - 1, halfCols, b.columns - 1);\n\n      let a21 = a.subMatrix(halfRows, a.rows - 1, 0, halfCols - 1);\n      let b21 = b.subMatrix(halfRows, b.rows - 1, 0, halfCols - 1);\n\n      let a22 = a.subMatrix(halfRows, a.rows - 1, halfCols, a.columns - 1);\n      let b22 = b.subMatrix(halfRows, b.rows - 1, halfCols, b.columns - 1);\n\n      // Compute intermediate values.\n      let m1 = blockMult(\n        AbstractMatrix.add(a11, a22),\n        AbstractMatrix.add(b11, b22),\n        halfRows,\n        halfCols,\n      );\n      let m2 = blockMult(AbstractMatrix.add(a21, a22), b11, halfRows, halfCols);\n      let m3 = blockMult(a11, AbstractMatrix.sub(b12, b22), halfRows, halfCols);\n      let m4 = blockMult(a22, AbstractMatrix.sub(b21, b11), halfRows, halfCols);\n      let m5 = blockMult(AbstractMatrix.add(a11, a12), b22, halfRows, halfCols);\n      let m6 = blockMult(\n        AbstractMatrix.sub(a21, a11),\n        AbstractMatrix.add(b11, b12),\n        halfRows,\n        halfCols,\n      );\n      let m7 = blockMult(\n        AbstractMatrix.sub(a12, a22),\n        AbstractMatrix.add(b21, b22),\n        halfRows,\n        halfCols,\n      );\n\n      // Combine intermediate values into the output.\n      let c11 = AbstractMatrix.add(m1, m4);\n      c11.sub(m5);\n      c11.add(m7);\n      let c12 = AbstractMatrix.add(m3, m5);\n      let c21 = AbstractMatrix.add(m2, m4);\n      let c22 = AbstractMatrix.sub(m1, m2);\n      c22.add(m3);\n      c22.add(m6);\n\n      // Crop output to the desired size (undo dynamic padding).\n      let result = AbstractMatrix.zeros(2 * c11.rows, 2 * c11.columns);\n      result = result.setSubMatrix(c11, 0, 0);\n      result = result.setSubMatrix(c12, c11.rows, 0);\n      result = result.setSubMatrix(c21, 0, c11.columns);\n      result = result.setSubMatrix(c22, c11.rows, c11.columns);\n      return result.subMatrix(0, rows - 1, 0, cols - 1);\n    }\n\n    return blockMult(x, y, r, c);\n  }\n\n  scaleRows(options = {}) {\n    if (typeof options !== 'object') {\n      throw new TypeError('options must be an object');\n    }\n    const { min = 0, max = 1 } = options;\n    if (!Number.isFinite(min)) throw new TypeError('min must be a number');\n    if (!Number.isFinite(max)) throw new TypeError('max must be a number');\n    if (min >= max) throw new RangeError('min must be smaller than max');\n    let newMatrix = new Matrix(this.rows, this.columns);\n    for (let i = 0; i < this.rows; i++) {\n      const row = this.getRow(i);\n      if (row.length > 0) {\n        rescale(row, { min, max, output: row });\n      }\n      newMatrix.setRow(i, row);\n    }\n    return newMatrix;\n  }\n\n  scaleColumns(options = {}) {\n    if (typeof options !== 'object') {\n      throw new TypeError('options must be an object');\n    }\n    const { min = 0, max = 1 } = options;\n    if (!Number.isFinite(min)) throw new TypeError('min must be a number');\n    if (!Number.isFinite(max)) throw new TypeError('max must be a number');\n    if (min >= max) throw new RangeError('min must be smaller than max');\n    let newMatrix = new Matrix(this.rows, this.columns);\n    for (let i = 0; i < this.columns; i++) {\n      const column = this.getColumn(i);\n      if (column.length) {\n        rescale(column, {\n          min,\n          max,\n          output: column,\n        });\n      }\n      newMatrix.setColumn(i, column);\n    }\n    return newMatrix;\n  }\n\n  flipRows() {\n    const middle = Math.ceil(this.columns / 2);\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < middle; j++) {\n        let first = this.get(i, j);\n        let last = this.get(i, this.columns - 1 - j);\n        this.set(i, j, last);\n        this.set(i, this.columns - 1 - j, first);\n      }\n    }\n    return this;\n  }\n\n  flipColumns() {\n    const middle = Math.ceil(this.rows / 2);\n    for (let j = 0; j < this.columns; j++) {\n      for (let i = 0; i < middle; i++) {\n        let first = this.get(i, j);\n        let last = this.get(this.rows - 1 - i, j);\n        this.set(i, j, last);\n        this.set(this.rows - 1 - i, j, first);\n      }\n    }\n    return this;\n  }\n\n  kroneckerProduct(other) {\n    other = Matrix.checkMatrix(other);\n\n    let m = this.rows;\n    let n = this.columns;\n    let p = other.rows;\n    let q = other.columns;\n\n    let result = new Matrix(m * p, n * q);\n    for (let i = 0; i < m; i++) {\n      for (let j = 0; j < n; j++) {\n        for (let k = 0; k < p; k++) {\n          for (let l = 0; l < q; l++) {\n            result.set(p * i + k, q * j + l, this.get(i, j) * other.get(k, l));\n          }\n        }\n      }\n    }\n    return result;\n  }\n\n  kroneckerSum(other) {\n    other = Matrix.checkMatrix(other);\n    if (!this.isSquare() || !other.isSquare()) {\n      throw new Error('Kronecker Sum needs two Square Matrices');\n    }\n    let m = this.rows;\n    let n = other.rows;\n    let AxI = this.kroneckerProduct(Matrix.eye(n, n));\n    let IxB = Matrix.eye(m, m).kroneckerProduct(other);\n    return AxI.add(IxB);\n  }\n\n  transpose() {\n    let result = new Matrix(this.columns, this.rows);\n    for (let i = 0; i < this.rows; i++) {\n      for (let j = 0; j < this.columns; j++) {\n        result.set(j, i, this.get(i, j));\n      }\n    }\n    return result;\n  }\n\n  sortRows(compareFunction = compareNumbers) {\n    for (let i = 0; i < this.rows; i++) {\n      this.setRow(i, this.getRow(i).sort(compareFunction));\n    }\n    return this;\n  }\n\n  sortColumns(compareFunction = compareNumbers) {\n    for (let i = 0; i < this.columns; i++) {\n      this.setColumn(i, this.getColumn(i).sort(compareFunction));\n    }\n    return this;\n  }\n\n  subMatrix(startRow, endRow, startColumn, endColumn) {\n    checkRange(this, startRow, endRow, startColumn, endColumn);\n    let newMatrix = new Matrix(\n      endRow - startRow + 1,\n      endColumn - startColumn + 1,\n    );\n    for (let i = startRow; i <= endRow; i++) {\n      for (let j = startColumn; j <= endColumn; j++) {\n        newMatrix.set(i - startRow, j - startColumn, this.get(i, j));\n      }\n    }\n    return newMatrix;\n  }\n\n  subMatrixRow(indices, startColumn, endColumn) {\n    if (startColumn === undefined) startColumn = 0;\n    if (endColumn === undefined) endColumn = this.columns - 1;\n    if (\n      startColumn > endColumn ||\n      startColumn < 0 ||\n      startColumn >= this.columns ||\n      endColumn < 0 ||\n      endColumn >= this.columns\n    ) {\n      throw new RangeError('Argument out of range');\n    }\n\n    let newMatrix = new Matrix(indices.length, endColumn - startColumn + 1);\n    for (let i = 0; i < indices.length; i++) {\n      for (let j = startColumn; j <= endColumn; j++) {\n        if (indices[i] < 0 || indices[i] >= this.rows) {\n          throw new RangeError(`Row index out of range: ${indices[i]}`);\n        }\n        newMatrix.set(i, j - startColumn, this.get(indices[i], j));\n      }\n    }\n    return newMatrix;\n  }\n\n  subMatrixColumn(indices, startRow, endRow) {\n    if (startRow === undefined) startRow = 0;\n    if (endRow === undefined) endRow = this.rows - 1;\n    if (\n      startRow > endRow ||\n      startRow < 0 ||\n      startRow >= this.rows ||\n      endRow < 0 ||\n      endRow >= this.rows\n    ) {\n      throw new RangeError('Argument out of range');\n    }\n\n    let newMatrix = new Matrix(endRow - startRow + 1, indices.length);\n    for (let i = 0; i < indices.length; i++) {\n      for (let j = startRow; j <= endRow; j++) {\n        if (indices[i] < 0 || indices[i] >= this.columns) {\n          throw new RangeError(`Column index out of range: ${indices[i]}`);\n        }\n        newMatrix.set(j - startRow, i, this.get(j, indices[i]));\n      }\n    }\n    return newMatrix;\n  }\n\n  setSubMatrix(matrix, startRow, startColumn) {\n    matrix = Matrix.checkMatrix(matrix);\n    if (matrix.isEmpty()) {\n      return this;\n    }\n    let endRow = startRow + matrix.rows - 1;\n    let endColumn = startColumn + matrix.columns - 1;\n    checkRange(this, startRow, endRow, startColumn, endColumn);\n    for (let i = 0; i < matrix.rows; i++) {\n      for (let j = 0; j < matrix.columns; j++) {\n        this.set(startRow + i, startColumn + j, matrix.get(i, j));\n      }\n    }\n    return this;\n  }\n\n  selection(rowIndices, columnIndices) {\n    checkRowIndices(this, rowIndices);\n    checkColumnIndices(this, columnIndices);\n    let newMatrix = new Matrix(rowIndices.length, columnIndices.length);\n    for (let i = 0; i < rowIndices.length; i++) {\n      let rowIndex = rowIndices[i];\n      for (let j = 0; j < columnIndices.length; j++) {\n        let columnIndex = columnIndices[j];\n        newMatrix.set(i, j, this.get(rowIndex, columnIndex));\n      }\n    }\n    return newMatrix;\n  }\n\n  trace() {\n    let min = Math.min(this.rows, this.columns);\n    let trace = 0;\n    for (let i = 0; i < min; i++) {\n      trace += this.get(i, i);\n    }\n    return trace;\n  }\n\n  clone() {\n    return this.constructor.copy(this, new Matrix(this.rows, this.columns));\n  }\n\n  /**\n   * @template {AbstractMatrix} M\n   * @param {AbstractMatrix} from\n   * @param {M} to\n   * @return {M}\n   */\n  static copy(from, to) {\n    for (const [row, column, value] of from.entries()) {\n      to.set(row, column, value);\n    }\n\n    return to;\n  }\n\n  sum(by) {\n    switch (by) {\n      case 'row':\n        return sumByRow(this);\n      case 'column':\n        return sumByColumn(this);\n      case undefined:\n        return sumAll(this);\n      default:\n        throw new Error(`invalid option: ${by}`);\n    }\n  }\n\n  product(by) {\n    switch (by) {\n      case 'row':\n        return productByRow(this);\n      case 'column':\n        return productByColumn(this);\n      case undefined:\n        return productAll(this);\n      default:\n        throw new Error(`invalid option: ${by}`);\n    }\n  }\n\n  mean(by) {\n    const sum = this.sum(by);\n    switch (by) {\n      case 'row': {\n        for (let i = 0; i < this.rows; i++) {\n          sum[i] /= this.columns;\n        }\n        return sum;\n      }\n      case 'column': {\n        for (let i = 0; i < this.columns; i++) {\n          sum[i] /= this.rows;\n        }\n        return sum;\n      }\n      case undefined:\n        return sum / this.size;\n      default:\n        throw new Error(`invalid option: ${by}`);\n    }\n  }\n\n  variance(by, options = {}) {\n    if (typeof by === 'object') {\n      options = by;\n      by = undefined;\n    }\n    if (typeof options !== 'object') {\n      throw new TypeError('options must be an object');\n    }\n    const { unbiased = true, mean = this.mean(by) } = options;\n    if (typeof unbiased !== 'boolean') {\n      throw new TypeError('unbiased must be a boolean');\n    }\n    switch (by) {\n      case 'row': {\n        if (!isAnyArray.isAnyArray(mean)) {\n          throw new TypeError('mean must be an array');\n        }\n        return varianceByRow(this, unbiased, mean);\n      }\n      case 'column': {\n        if (!isAnyArray.isAnyArray(mean)) {\n          throw new TypeError('mean must be an array');\n        }\n        return varianceByColumn(this, unbiased, mean);\n      }\n      case undefined: {\n        if (typeof mean !== 'number') {\n          throw new TypeError('mean must be a number');\n        }\n        return varianceAll(this, unbiased, mean);\n      }\n      default:\n        throw new Error(`invalid option: ${by}`);\n    }\n  }\n\n  standardDeviation(by, options) {\n    if (typeof by === 'object') {\n      options = by;\n      by = undefined;\n    }\n    const variance = this.variance(by, options);\n    if (by === undefined) {\n      return Math.sqrt(variance);\n    } else {\n      for (let i = 0; i < variance.length; i++) {\n        variance[i] = Math.sqrt(variance[i]);\n      }\n      return variance;\n    }\n  }\n\n  center(by, options = {}) {\n    if (typeof by === 'object') {\n      options = by;\n      by = undefined;\n    }\n    if (typeof options !== 'object') {\n      throw new TypeError('options must be an object');\n    }\n    const { center = this.mean(by) } = options;\n    switch (by) {\n      case 'row': {\n        if (!isAnyArray.isAnyArray(center)) {\n          throw new TypeError('center must be an array');\n        }\n        centerByRow(this, center);\n        return this;\n      }\n      case 'column': {\n        if (!isAnyArray.isAnyArray(center)) {\n          throw new TypeError('center must be an array');\n        }\n        centerByColumn(this, center);\n        return this;\n      }\n      case undefined: {\n        if (typeof center !== 'number') {\n          throw new TypeError('center must be a number');\n        }\n        centerAll(this, center);\n        return this;\n      }\n      default:\n        throw new Error(`invalid option: ${by}`);\n    }\n  }\n\n  scale(by, options = {}) {\n    if (typeof by === 'object') {\n      options = by;\n      by = undefined;\n    }\n    if (typeof options !== 'object') {\n      throw new TypeError('options must be an object');\n    }\n    let scale = options.scale;\n    switch (by) {\n      case 'row': {\n        if (scale === undefined) {\n          scale = getScaleByRow(this);\n        } else if (!isAnyArray.isAnyArray(scale)) {\n          throw new TypeError('scale must be an array');\n        }\n        scaleByRow(this, scale);\n        return this;\n      }\n      case 'column': {\n        if (scale === undefined) {\n          scale = getScaleByColumn(this);\n        } else if (!isAnyArray.isAnyArray(scale)) {\n          throw new TypeError('scale must be an array');\n        }\n        scaleByColumn(this, scale);\n        return this;\n      }\n      case undefined: {\n        if (scale === undefined) {\n          scale = getScaleAll(this);\n        } else if (typeof scale !== 'number') {\n          throw new TypeError('scale must be a number');\n        }\n        scaleAll(this, scale);\n        return this;\n      }\n      default:\n        throw new Error(`invalid option: ${by}`);\n    }\n  }\n\n  toString(options) {\n    return inspectMatrixWithOptions(this, options);\n  }\n\n  [Symbol.iterator]() {\n    return this.entries();\n  }\n\n  /**\n   * iterator from left to right, from top to bottom\n   * yield [row, column, value]\n   * @returns {Generator<[number, number, number], void, void>}\n   */\n  *entries() {\n    for (let row = 0; row < this.rows; row++) {\n      for (let col = 0; col < this.columns; col++) {\n        yield [row, col, this.get(row, col)];\n      }\n    }\n  }\n\n  /**\n   * iterator from left to right, from top to bottom\n   * yield value\n   * @returns {Generator<number, void, void>}\n   */\n  *values() {\n    for (let row = 0; row < this.rows; row++) {\n      for (let col = 0; col < this.columns; col++) {\n        yield this.get(row, col);\n      }\n    }\n  }\n}\n\nAbstractMatrix.prototype.klass = 'Matrix';\nif (typeof Symbol !== 'undefined') {\n  AbstractMatrix.prototype[Symbol.for('nodejs.util.inspect.custom')] =\n    inspectMatrix;\n}\n\nfunction compareNumbers(a, b) {\n  return a - b;\n}\n\nfunction isArrayOfNumbers(array) {\n  return array.every((element) => {\n    return typeof element === 'number';\n  });\n}\n\n// Synonyms\nAbstractMatrix.random = AbstractMatrix.rand;\nAbstractMatrix.randomInt = AbstractMatrix.randInt;\nAbstractMatrix.diagonal = AbstractMatrix.diag;\nAbstractMatrix.prototype.diagonal = AbstractMatrix.prototype.diag;\nAbstractMatrix.identity = AbstractMatrix.eye;\nAbstractMatrix.prototype.negate = AbstractMatrix.prototype.neg;\nAbstractMatrix.prototype.tensorProduct =\n  AbstractMatrix.prototype.kroneckerProduct;\n\nclass Matrix extends AbstractMatrix {\n  /**\n   * @type {Float64Array[]}\n   */\n  data;\n\n  /**\n   * Init an empty matrix\n   * @param {number} nRows\n   * @param {number} nColumns\n   */\n  #initData(nRows, nColumns) {\n    this.data = [];\n\n    if (Number.isInteger(nColumns) && nColumns >= 0) {\n      for (let i = 0; i < nRows; i++) {\n        this.data.push(new Float64Array(nColumns));\n      }\n    } else {\n      throw new TypeError('nColumns must be a positive integer');\n    }\n\n    this.rows = nRows;\n    this.columns = nColumns;\n  }\n\n  constructor(nRows, nColumns) {\n    super();\n    if (Matrix.isMatrix(nRows)) {\n      this.#initData(nRows.rows, nRows.columns);\n      Matrix.copy(nRows, this);\n    } else if (Number.isInteger(nRows) && nRows >= 0) {\n      this.#initData(nRows, nColumns);\n    } else if (isAnyArray.isAnyArray(nRows)) {\n      // Copy the values from the 2D array\n      const arrayData = nRows;\n      nRows = arrayData.length;\n      nColumns = nRows ? arrayData[0].length : 0;\n      if (typeof nColumns !== 'number') {\n        throw new TypeError(\n          'Data must be a 2D array with at least one element',\n        );\n      }\n      this.data = [];\n\n      for (let i = 0; i < nRows; i++) {\n        if (arrayData[i].length !== nColumns) {\n          throw new RangeError('Inconsistent array dimensions');\n        }\n        if (!isArrayOfNumbers(arrayData[i])) {\n          throw new TypeError('Input data contains non-numeric values');\n        }\n        this.data.push(Float64Array.from(arrayData[i]));\n      }\n\n      this.rows = nRows;\n      this.columns = nColumns;\n    } else {\n      throw new TypeError(\n        'First argument must be a positive number or an array',\n      );\n    }\n  }\n\n  set(rowIndex, columnIndex, value) {\n    this.data[rowIndex][columnIndex] = value;\n    return this;\n  }\n\n  get(rowIndex, columnIndex) {\n    return this.data[rowIndex][columnIndex];\n  }\n\n  removeRow(index) {\n    checkRowIndex(this, index);\n    this.data.splice(index, 1);\n    this.rows -= 1;\n    return this;\n  }\n\n  addRow(index, array) {\n    if (array === undefined) {\n      array = index;\n      index = this.rows;\n    }\n    checkRowIndex(this, index, true);\n    array = Float64Array.from(checkRowVector(this, array));\n    this.data.splice(index, 0, array);\n    this.rows += 1;\n    return this;\n  }\n\n  removeColumn(index) {\n    checkColumnIndex(this, index);\n    for (let i = 0; i < this.rows; i++) {\n      const newRow = new Float64Array(this.columns - 1);\n      for (let j = 0; j < index; j++) {\n        newRow[j] = this.data[i][j];\n      }\n      for (let j = index + 1; j < this.columns; j++) {\n        newRow[j - 1] = this.data[i][j];\n      }\n      this.data[i] = newRow;\n    }\n    this.columns -= 1;\n    return this;\n  }\n\n  addColumn(index, array) {\n    if (typeof array === 'undefined') {\n      array = index;\n      index = this.columns;\n    }\n    checkColumnIndex(this, index, true);\n    array = checkColumnVector(this, array);\n    for (let i = 0; i < this.rows; i++) {\n      const newRow = new Float64Array(this.columns + 1);\n      let j = 0;\n      for (; j < index; j++) {\n        newRow[j] = this.data[i][j];\n      }\n      newRow[j++] = array[i];\n      for (; j < this.columns + 1; j++) {\n        newRow[j] = this.data[i][j - 1];\n      }\n      this.data[i] = newRow;\n    }\n    this.columns += 1;\n    return this;\n  }\n}\n\ninstallMathOperations(AbstractMatrix, Matrix);\n\n/**\n * @typedef {0 | 1 | number | boolean} Mask\n */\n\nclass SymmetricMatrix extends AbstractMatrix {\n  /** @type {Matrix} */\n  #matrix;\n\n  get size() {\n    return this.#matrix.size;\n  }\n\n  get rows() {\n    return this.#matrix.rows;\n  }\n\n  get columns() {\n    return this.#matrix.columns;\n  }\n\n  get diagonalSize() {\n    return this.rows;\n  }\n\n  /**\n   * not the same as matrix.isSymmetric()\n   * Here is to check if it's instanceof SymmetricMatrix without bundling issues\n   *\n   * @param value\n   * @returns {boolean}\n   */\n  static isSymmetricMatrix(value) {\n    return Matrix.isMatrix(value) && value.klassType === 'SymmetricMatrix';\n  }\n\n  /**\n   * @param diagonalSize\n   * @return {SymmetricMatrix}\n   */\n  static zeros(diagonalSize) {\n    return new this(diagonalSize);\n  }\n\n  /**\n   * @param diagonalSize\n   * @return {SymmetricMatrix}\n   */\n  static ones(diagonalSize) {\n    return new this(diagonalSize).fill(1);\n  }\n\n  /**\n   * @param {number | AbstractMatrix | ArrayLike<ArrayLike<number>>} diagonalSize\n   * @return {this}\n   */\n  constructor(diagonalSize) {\n    super();\n\n    if (Matrix.isMatrix(diagonalSize)) {\n      if (!diagonalSize.isSymmetric()) {\n        throw new TypeError('not symmetric data');\n      }\n\n      this.#matrix = Matrix.copy(\n        diagonalSize,\n        new Matrix(diagonalSize.rows, diagonalSize.rows),\n      );\n    } else if (Number.isInteger(diagonalSize) && diagonalSize >= 0) {\n      this.#matrix = new Matrix(diagonalSize, diagonalSize);\n    } else {\n      this.#matrix = new Matrix(diagonalSize);\n\n      if (!this.isSymmetric()) {\n        throw new TypeError('not symmetric data');\n      }\n    }\n  }\n\n  clone() {\n    const matrix = new SymmetricMatrix(this.diagonalSize);\n\n    for (const [row, col, value] of this.upperRightEntries()) {\n      matrix.set(row, col, value);\n    }\n\n    return matrix;\n  }\n\n  toMatrix() {\n    return new Matrix(this);\n  }\n\n  get(rowIndex, columnIndex) {\n    return this.#matrix.get(rowIndex, columnIndex);\n  }\n  set(rowIndex, columnIndex, value) {\n    // symmetric set\n    this.#matrix.set(rowIndex, columnIndex, value);\n    this.#matrix.set(columnIndex, rowIndex, value);\n\n    return this;\n  }\n\n  removeCross(index) {\n    // symmetric remove side\n    this.#matrix.removeRow(index);\n    this.#matrix.removeColumn(index);\n\n    return this;\n  }\n\n  addCross(index, array) {\n    if (array === undefined) {\n      array = index;\n      index = this.diagonalSize;\n    }\n\n    const row = array.slice();\n    row.splice(index, 1);\n\n    this.#matrix.addRow(index, row);\n    this.#matrix.addColumn(index, array);\n\n    return this;\n  }\n\n  /**\n   * @param {Mask[]} mask\n   */\n  applyMask(mask) {\n    if (mask.length !== this.diagonalSize) {\n      throw new RangeError('Mask size do not match with matrix size');\n    }\n\n    // prepare sides to remove from matrix from mask\n    /** @type {number[]} */\n    const sidesToRemove = [];\n    for (const [index, passthroughs] of mask.entries()) {\n      if (passthroughs) continue;\n      sidesToRemove.push(index);\n    }\n    // to remove from highest to lowest for no mutation shifting\n    sidesToRemove.reverse();\n\n    // remove sides\n    for (const sideIndex of sidesToRemove) {\n      this.removeCross(sideIndex);\n    }\n\n    return this;\n  }\n\n  /**\n   * Compact format upper-right corner of matrix\n   * iterate from left to right, from top to bottom.\n   *\n   * ```\n   *   A B C D\n   * A 1 2 3 4\n   * B 2 5 6 7\n   * C 3 6 8 9\n   * D 4 7 9 10\n   * ```\n   *\n   * will return compact 1D array `[1, 2, 3, 4, 5, 6, 7, 8, 9, 10]`\n   *\n   * length is S(i=0, n=sideSize) => 10 for a 4 sideSized matrix\n   *\n   * @returns {number[]}\n   */\n  toCompact() {\n    const { diagonalSize } = this;\n\n    /** @type {number[]} */\n    const compact = new Array((diagonalSize * (diagonalSize + 1)) / 2);\n    for (let col = 0, row = 0, index = 0; index < compact.length; index++) {\n      compact[index] = this.get(row, col);\n\n      if (++col >= diagonalSize) col = ++row;\n    }\n\n    return compact;\n  }\n\n  /**\n   * @param {number[]} compact\n   * @return {SymmetricMatrix}\n   */\n  static fromCompact(compact) {\n    const compactSize = compact.length;\n    // compactSize = (sideSize * (sideSize + 1)) / 2\n    // https://mathsolver.microsoft.com/fr/solve-problem/y%20%3D%20%20x%20%60cdot%20%20%20%60frac%7B%20%20%60left(%20x%2B1%20%20%60right)%20%20%20%20%7D%7B%202%20%20%7D\n    // sideSize = (Sqrt(8 × compactSize + 1) - 1) / 2\n    const diagonalSize = (Math.sqrt(8 * compactSize + 1) - 1) / 2;\n\n    if (!Number.isInteger(diagonalSize)) {\n      throw new TypeError(\n        `This array is not a compact representation of a Symmetric Matrix, ${JSON.stringify(\n          compact,\n        )}`,\n      );\n    }\n\n    const matrix = new SymmetricMatrix(diagonalSize);\n    for (let col = 0, row = 0, index = 0; index < compactSize; index++) {\n      matrix.set(col, row, compact[index]);\n      if (++col >= diagonalSize) col = ++row;\n    }\n\n    return matrix;\n  }\n\n  /**\n   * half iterator upper-right-corner from left to right, from top to bottom\n   * yield [row, column, value]\n   *\n   * @returns {Generator<[number, number, number], void, void>}\n   */\n  *upperRightEntries() {\n    for (let row = 0, col = 0; row < this.diagonalSize; void 0) {\n      const value = this.get(row, col);\n\n      yield [row, col, value];\n\n      // at the end of row, move cursor to next row at diagonal position\n      if (++col >= this.diagonalSize) col = ++row;\n    }\n  }\n\n  /**\n   * half iterator upper-right-corner from left to right, from top to bottom\n   * yield value\n   *\n   * @returns {Generator<[number, number, number], void, void>}\n   */\n  *upperRightValues() {\n    for (let row = 0, col = 0; row < this.diagonalSize; void 0) {\n      const value = this.get(row, col);\n\n      yield value;\n\n      // at the end of row, move cursor to next row at diagonal position\n      if (++col >= this.diagonalSize) col = ++row;\n    }\n  }\n}\nSymmetricMatrix.prototype.klassType = 'SymmetricMatrix';\n\nclass DistanceMatrix extends SymmetricMatrix {\n  /**\n   * not the same as matrix.isSymmetric()\n   * Here is to check if it's instanceof SymmetricMatrix without bundling issues\n   *\n   * @param value\n   * @returns {boolean}\n   */\n  static isDistanceMatrix(value) {\n    return (\n      SymmetricMatrix.isSymmetricMatrix(value) &&\n      value.klassSubType === 'DistanceMatrix'\n    );\n  }\n\n  constructor(sideSize) {\n    super(sideSize);\n\n    if (!this.isDistance()) {\n      throw new TypeError('Provided arguments do no produce a distance matrix');\n    }\n  }\n\n  set(rowIndex, columnIndex, value) {\n    // distance matrix diagonal is 0\n    if (rowIndex === columnIndex) value = 0;\n\n    return super.set(rowIndex, columnIndex, value);\n  }\n\n  addCross(index, array) {\n    if (array === undefined) {\n      array = index;\n      index = this.diagonalSize;\n    }\n\n    // ensure distance\n    array = array.slice();\n    array[index] = 0;\n\n    return super.addCross(index, array);\n  }\n\n  toSymmetricMatrix() {\n    return new SymmetricMatrix(this);\n  }\n\n  clone() {\n    const matrix = new DistanceMatrix(this.diagonalSize);\n\n    for (const [row, col, value] of this.upperRightEntries()) {\n      if (row === col) continue;\n      matrix.set(row, col, value);\n    }\n\n    return matrix;\n  }\n\n  /**\n   * Compact format upper-right corner of matrix\n   * no diagonal (only zeros)\n   * iterable from left to right, from top to bottom.\n   *\n   * ```\n   *   A B C D\n   * A 0 1 2 3\n   * B 1 0 4 5\n   * C 2 4 0 6\n   * D 3 5 6 0\n   * ```\n   *\n   * will return compact 1D array `[1, 2, 3, 4, 5, 6]`\n   *\n   * length is S(i=0, n=sideSize-1) => 6 for a 4 side sized matrix\n   *\n   * @returns {number[]}\n   */\n  toCompact() {\n    const { diagonalSize } = this;\n    const compactLength = ((diagonalSize - 1) * diagonalSize) / 2;\n\n    /** @type {number[]} */\n    const compact = new Array(compactLength);\n    for (let col = 1, row = 0, index = 0; index < compact.length; index++) {\n      compact[index] = this.get(row, col);\n\n      if (++col >= diagonalSize) col = ++row + 1;\n    }\n\n    return compact;\n  }\n\n  /**\n   * @param {number[]} compact\n   */\n  static fromCompact(compact) {\n    const compactSize = compact.length;\n\n    if (compactSize === 0) {\n      return new this(0);\n    }\n\n    // compactSize in Natural integer range ]0;∞]\n    // compactSize = (sideSize * (sideSize - 1)) / 2\n    // sideSize = (Sqrt(8 × compactSize + 1) + 1) / 2\n    const diagonalSize = (Math.sqrt(8 * compactSize + 1) + 1) / 2;\n\n    if (!Number.isInteger(diagonalSize)) {\n      throw new TypeError(\n        `This array is not a compact representation of a DistanceMatrix, ${JSON.stringify(\n          compact,\n        )}`,\n      );\n    }\n\n    const matrix = new this(diagonalSize);\n    for (let col = 1, row = 0, index = 0; index < compactSize; index++) {\n      matrix.set(col, row, compact[index]);\n      if (++col >= diagonalSize) col = ++row + 1;\n    }\n\n    return matrix;\n  }\n}\nDistanceMatrix.prototype.klassSubType = 'DistanceMatrix';\n\nclass BaseView extends AbstractMatrix {\n  constructor(matrix, rows, columns) {\n    super();\n    this.matrix = matrix;\n    this.rows = rows;\n    this.columns = columns;\n  }\n}\n\nclass MatrixColumnView extends BaseView {\n  constructor(matrix, column) {\n    checkColumnIndex(matrix, column);\n    super(matrix, matrix.rows, 1);\n    this.column = column;\n  }\n\n  set(rowIndex, columnIndex, value) {\n    this.matrix.set(rowIndex, this.column, value);\n    return this;\n  }\n\n  get(rowIndex) {\n    return this.matrix.get(rowIndex, this.column);\n  }\n}\n\nclass MatrixColumnSelectionView extends BaseView {\n  constructor(matrix, columnIndices) {\n    checkColumnIndices(matrix, columnIndices);\n    super(matrix, matrix.rows, columnIndices.length);\n    this.columnIndices = columnIndices;\n  }\n\n  set(rowIndex, columnIndex, value) {\n    this.matrix.set(rowIndex, this.columnIndices[columnIndex], value);\n    return this;\n  }\n\n  get(rowIndex, columnIndex) {\n    return this.matrix.get(rowIndex, this.columnIndices[columnIndex]);\n  }\n}\n\nclass MatrixFlipColumnView extends BaseView {\n  constructor(matrix) {\n    super(matrix, matrix.rows, matrix.columns);\n  }\n\n  set(rowIndex, columnIndex, value) {\n    this.matrix.set(rowIndex, this.columns - columnIndex - 1, value);\n    return this;\n  }\n\n  get(rowIndex, columnIndex) {\n    return this.matrix.get(rowIndex, this.columns - columnIndex - 1);\n  }\n}\n\nclass MatrixFlipRowView extends BaseView {\n  constructor(matrix) {\n    super(matrix, matrix.rows, matrix.columns);\n  }\n\n  set(rowIndex, columnIndex, value) {\n    this.matrix.set(this.rows - rowIndex - 1, columnIndex, value);\n    return this;\n  }\n\n  get(rowIndex, columnIndex) {\n    return this.matrix.get(this.rows - rowIndex - 1, columnIndex);\n  }\n}\n\nclass MatrixRowView extends BaseView {\n  constructor(matrix, row) {\n    checkRowIndex(matrix, row);\n    super(matrix, 1, matrix.columns);\n    this.row = row;\n  }\n\n  set(rowIndex, columnIndex, value) {\n    this.matrix.set(this.row, columnIndex, value);\n    return this;\n  }\n\n  get(rowIndex, columnIndex) {\n    return this.matrix.get(this.row, columnIndex);\n  }\n}\n\nclass MatrixRowSelectionView extends BaseView {\n  constructor(matrix, rowIndices) {\n    checkRowIndices(matrix, rowIndices);\n    super(matrix, rowIndices.length, matrix.columns);\n    this.rowIndices = rowIndices;\n  }\n\n  set(rowIndex, columnIndex, value) {\n    this.matrix.set(this.rowIndices[rowIndex], columnIndex, value);\n    return this;\n  }\n\n  get(rowIndex, columnIndex) {\n    return this.matrix.get(this.rowIndices[rowIndex], columnIndex);\n  }\n}\n\nclass MatrixSelectionView extends BaseView {\n  constructor(matrix, rowIndices, columnIndices) {\n    checkRowIndices(matrix, rowIndices);\n    checkColumnIndices(matrix, columnIndices);\n    super(matrix, rowIndices.length, columnIndices.length);\n    this.rowIndices = rowIndices;\n    this.columnIndices = columnIndices;\n  }\n\n  set(rowIndex, columnIndex, value) {\n    this.matrix.set(\n      this.rowIndices[rowIndex],\n      this.columnIndices[columnIndex],\n      value,\n    );\n    return this;\n  }\n\n  get(rowIndex, columnIndex) {\n    return this.matrix.get(\n      this.rowIndices[rowIndex],\n      this.columnIndices[columnIndex],\n    );\n  }\n}\n\nclass MatrixSubView extends BaseView {\n  constructor(matrix, startRow, endRow, startColumn, endColumn) {\n    checkRange(matrix, startRow, endRow, startColumn, endColumn);\n    super(matrix, endRow - startRow + 1, endColumn - startColumn + 1);\n    this.startRow = startRow;\n    this.startColumn = startColumn;\n  }\n\n  set(rowIndex, columnIndex, value) {\n    this.matrix.set(\n      this.startRow + rowIndex,\n      this.startColumn + columnIndex,\n      value,\n    );\n    return this;\n  }\n\n  get(rowIndex, columnIndex) {\n    return this.matrix.get(\n      this.startRow + rowIndex,\n      this.startColumn + columnIndex,\n    );\n  }\n}\n\nclass MatrixTransposeView extends BaseView {\n  constructor(matrix) {\n    super(matrix, matrix.columns, matrix.rows);\n  }\n\n  set(rowIndex, columnIndex, value) {\n    this.matrix.set(columnIndex, rowIndex, value);\n    return this;\n  }\n\n  get(rowIndex, columnIndex) {\n    return this.matrix.get(columnIndex, rowIndex);\n  }\n}\n\nclass WrapperMatrix1D extends AbstractMatrix {\n  constructor(data, options = {}) {\n    const { rows = 1 } = options;\n\n    if (data.length % rows !== 0) {\n      throw new Error('the data length is not divisible by the number of rows');\n    }\n    super();\n    this.rows = rows;\n    this.columns = data.length / rows;\n    this.data = data;\n  }\n\n  set(rowIndex, columnIndex, value) {\n    let index = this._calculateIndex(rowIndex, columnIndex);\n    this.data[index] = value;\n    return this;\n  }\n\n  get(rowIndex, columnIndex) {\n    let index = this._calculateIndex(rowIndex, columnIndex);\n    return this.data[index];\n  }\n\n  _calculateIndex(row, column) {\n    return row * this.columns + column;\n  }\n}\n\nclass WrapperMatrix2D extends AbstractMatrix {\n  constructor(data) {\n    super();\n    this.data = data;\n    this.rows = data.length;\n    this.columns = data[0].length;\n  }\n\n  set(rowIndex, columnIndex, value) {\n    this.data[rowIndex][columnIndex] = value;\n    return this;\n  }\n\n  get(rowIndex, columnIndex) {\n    return this.data[rowIndex][columnIndex];\n  }\n}\n\nfunction wrap(array, options) {\n  if (isAnyArray.isAnyArray(array)) {\n    if (array[0] && isAnyArray.isAnyArray(array[0])) {\n      return new WrapperMatrix2D(array);\n    } else {\n      return new WrapperMatrix1D(array, options);\n    }\n  } else {\n    throw new Error('the argument is not an array');\n  }\n}\n\nclass LuDecomposition {\n  constructor(matrix) {\n    matrix = WrapperMatrix2D.checkMatrix(matrix);\n\n    let lu = matrix.clone();\n    let rows = lu.rows;\n    let columns = lu.columns;\n    let pivotVector = new Float64Array(rows);\n    let pivotSign = 1;\n    let i, j, k, p, s, t, v;\n    let LUcolj, kmax;\n\n    for (i = 0; i < rows; i++) {\n      pivotVector[i] = i;\n    }\n\n    LUcolj = new Float64Array(rows);\n\n    for (j = 0; j < columns; j++) {\n      for (i = 0; i < rows; i++) {\n        LUcolj[i] = lu.get(i, j);\n      }\n\n      for (i = 0; i < rows; i++) {\n        kmax = Math.min(i, j);\n        s = 0;\n        for (k = 0; k < kmax; k++) {\n          s += lu.get(i, k) * LUcolj[k];\n        }\n        LUcolj[i] -= s;\n        lu.set(i, j, LUcolj[i]);\n      }\n\n      p = j;\n      for (i = j + 1; i < rows; i++) {\n        if (Math.abs(LUcolj[i]) > Math.abs(LUcolj[p])) {\n          p = i;\n        }\n      }\n\n      if (p !== j) {\n        for (k = 0; k < columns; k++) {\n          t = lu.get(p, k);\n          lu.set(p, k, lu.get(j, k));\n          lu.set(j, k, t);\n        }\n\n        v = pivotVector[p];\n        pivotVector[p] = pivotVector[j];\n        pivotVector[j] = v;\n\n        pivotSign = -pivotSign;\n      }\n\n      if (j < rows && lu.get(j, j) !== 0) {\n        for (i = j + 1; i < rows; i++) {\n          lu.set(i, j, lu.get(i, j) / lu.get(j, j));\n        }\n      }\n    }\n\n    this.LU = lu;\n    this.pivotVector = pivotVector;\n    this.pivotSign = pivotSign;\n  }\n\n  isSingular() {\n    let data = this.LU;\n    let col = data.columns;\n    for (let j = 0; j < col; j++) {\n      if (data.get(j, j) === 0) {\n        return true;\n      }\n    }\n    return false;\n  }\n\n  solve(value) {\n    value = Matrix.checkMatrix(value);\n\n    let lu = this.LU;\n    let rows = lu.rows;\n\n    if (rows !== value.rows) {\n      throw new Error('Invalid matrix dimensions');\n    }\n    if (this.isSingular()) {\n      throw new Error('LU matrix is singular');\n    }\n\n    let count = value.columns;\n    let X = value.subMatrixRow(this.pivotVector, 0, count - 1);\n    let columns = lu.columns;\n    let i, j, k;\n\n    for (k = 0; k < columns; k++) {\n      for (i = k + 1; i < columns; i++) {\n        for (j = 0; j < count; j++) {\n          X.set(i, j, X.get(i, j) - X.get(k, j) * lu.get(i, k));\n        }\n      }\n    }\n    for (k = columns - 1; k >= 0; k--) {\n      for (j = 0; j < count; j++) {\n        X.set(k, j, X.get(k, j) / lu.get(k, k));\n      }\n      for (i = 0; i < k; i++) {\n        for (j = 0; j < count; j++) {\n          X.set(i, j, X.get(i, j) - X.get(k, j) * lu.get(i, k));\n        }\n      }\n    }\n    return X;\n  }\n\n  get determinant() {\n    let data = this.LU;\n    if (!data.isSquare()) {\n      throw new Error('Matrix must be square');\n    }\n    let determinant = this.pivotSign;\n    let col = data.columns;\n    for (let j = 0; j < col; j++) {\n      determinant *= data.get(j, j);\n    }\n    return determinant;\n  }\n\n  get lowerTriangularMatrix() {\n    let data = this.LU;\n    let rows = data.rows;\n    let columns = data.columns;\n    let X = new Matrix(rows, columns);\n    for (let i = 0; i < rows; i++) {\n      for (let j = 0; j < columns; j++) {\n        if (i > j) {\n          X.set(i, j, data.get(i, j));\n        } else if (i === j) {\n          X.set(i, j, 1);\n        } else {\n          X.set(i, j, 0);\n        }\n      }\n    }\n    return X;\n  }\n\n  get upperTriangularMatrix() {\n    let data = this.LU;\n    let rows = data.rows;\n    let columns = data.columns;\n    let X = new Matrix(rows, columns);\n    for (let i = 0; i < rows; i++) {\n      for (let j = 0; j < columns; j++) {\n        if (i <= j) {\n          X.set(i, j, data.get(i, j));\n        } else {\n          X.set(i, j, 0);\n        }\n      }\n    }\n    return X;\n  }\n\n  get pivotPermutationVector() {\n    return Array.from(this.pivotVector);\n  }\n}\n\nfunction hypotenuse(a, b) {\n  let r = 0;\n  if (Math.abs(a) > Math.abs(b)) {\n    r = b / a;\n    return Math.abs(a) * Math.sqrt(1 + r * r);\n  }\n  if (b !== 0) {\n    r = a / b;\n    return Math.abs(b) * Math.sqrt(1 + r * r);\n  }\n  return 0;\n}\n\nclass QrDecomposition {\n  constructor(value) {\n    value = WrapperMatrix2D.checkMatrix(value);\n\n    let qr = value.clone();\n    let m = value.rows;\n    let n = value.columns;\n    let rdiag = new Float64Array(n);\n    let i, j, k, s;\n\n    for (k = 0; k < n; k++) {\n      let nrm = 0;\n      for (i = k; i < m; i++) {\n        nrm = hypotenuse(nrm, qr.get(i, k));\n      }\n      if (nrm !== 0) {\n        if (qr.get(k, k) < 0) {\n          nrm = -nrm;\n        }\n        for (i = k; i < m; i++) {\n          qr.set(i, k, qr.get(i, k) / nrm);\n        }\n        qr.set(k, k, qr.get(k, k) + 1);\n        for (j = k + 1; j < n; j++) {\n          s = 0;\n          for (i = k; i < m; i++) {\n            s += qr.get(i, k) * qr.get(i, j);\n          }\n          s = -s / qr.get(k, k);\n          for (i = k; i < m; i++) {\n            qr.set(i, j, qr.get(i, j) + s * qr.get(i, k));\n          }\n        }\n      }\n      rdiag[k] = -nrm;\n    }\n\n    this.QR = qr;\n    this.Rdiag = rdiag;\n  }\n\n  solve(value) {\n    value = Matrix.checkMatrix(value);\n\n    let qr = this.QR;\n    let m = qr.rows;\n\n    if (value.rows !== m) {\n      throw new Error('Matrix row dimensions must agree');\n    }\n    if (!this.isFullRank()) {\n      throw new Error('Matrix is rank deficient');\n    }\n\n    let count = value.columns;\n    let X = value.clone();\n    let n = qr.columns;\n    let i, j, k, s;\n\n    for (k = 0; k < n; k++) {\n      for (j = 0; j < count; j++) {\n        s = 0;\n        for (i = k; i < m; i++) {\n          s += qr.get(i, k) * X.get(i, j);\n        }\n        s = -s / qr.get(k, k);\n        for (i = k; i < m; i++) {\n          X.set(i, j, X.get(i, j) + s * qr.get(i, k));\n        }\n      }\n    }\n    for (k = n - 1; k >= 0; k--) {\n      for (j = 0; j < count; j++) {\n        X.set(k, j, X.get(k, j) / this.Rdiag[k]);\n      }\n      for (i = 0; i < k; i++) {\n        for (j = 0; j < count; j++) {\n          X.set(i, j, X.get(i, j) - X.get(k, j) * qr.get(i, k));\n        }\n      }\n    }\n\n    return X.subMatrix(0, n - 1, 0, count - 1);\n  }\n\n  isFullRank() {\n    let columns = this.QR.columns;\n    for (let i = 0; i < columns; i++) {\n      if (this.Rdiag[i] === 0) {\n        return false;\n      }\n    }\n    return true;\n  }\n\n  get upperTriangularMatrix() {\n    let qr = this.QR;\n    let n = qr.columns;\n    let X = new Matrix(n, n);\n    let i, j;\n    for (i = 0; i < n; i++) {\n      for (j = 0; j < n; j++) {\n        if (i < j) {\n          X.set(i, j, qr.get(i, j));\n        } else if (i === j) {\n          X.set(i, j, this.Rdiag[i]);\n        } else {\n          X.set(i, j, 0);\n        }\n      }\n    }\n    return X;\n  }\n\n  get orthogonalMatrix() {\n    let qr = this.QR;\n    let rows = qr.rows;\n    let columns = qr.columns;\n    let X = new Matrix(rows, columns);\n    let i, j, k, s;\n\n    for (k = columns - 1; k >= 0; k--) {\n      for (i = 0; i < rows; i++) {\n        X.set(i, k, 0);\n      }\n      X.set(k, k, 1);\n      for (j = k; j < columns; j++) {\n        if (qr.get(k, k) !== 0) {\n          s = 0;\n          for (i = k; i < rows; i++) {\n            s += qr.get(i, k) * X.get(i, j);\n          }\n\n          s = -s / qr.get(k, k);\n\n          for (i = k; i < rows; i++) {\n            X.set(i, j, X.get(i, j) + s * qr.get(i, k));\n          }\n        }\n      }\n    }\n    return X;\n  }\n}\n\nclass SingularValueDecomposition {\n  constructor(value, options = {}) {\n    value = WrapperMatrix2D.checkMatrix(value);\n\n    if (value.isEmpty()) {\n      throw new Error('Matrix must be non-empty');\n    }\n\n    let m = value.rows;\n    let n = value.columns;\n\n    const {\n      computeLeftSingularVectors = true,\n      computeRightSingularVectors = true,\n      autoTranspose = false,\n    } = options;\n\n    let wantu = Boolean(computeLeftSingularVectors);\n    let wantv = Boolean(computeRightSingularVectors);\n\n    let swapped = false;\n    let a;\n    if (m < n) {\n      if (!autoTranspose) {\n        a = value.clone();\n        // eslint-disable-next-line no-console\n        console.warn(\n          'Computing SVD on a matrix with more columns than rows. Consider enabling autoTranspose',\n        );\n      } else {\n        a = value.transpose();\n        m = a.rows;\n        n = a.columns;\n        swapped = true;\n        let aux = wantu;\n        wantu = wantv;\n        wantv = aux;\n      }\n    } else {\n      a = value.clone();\n    }\n\n    let nu = Math.min(m, n);\n    let ni = Math.min(m + 1, n);\n    let s = new Float64Array(ni);\n    let U = new Matrix(m, nu);\n    let V = new Matrix(n, n);\n\n    let e = new Float64Array(n);\n    let work = new Float64Array(m);\n\n    let si = new Float64Array(ni);\n    for (let i = 0; i < ni; i++) si[i] = i;\n\n    let nct = Math.min(m - 1, n);\n    let nrt = Math.max(0, Math.min(n - 2, m));\n    let mrc = Math.max(nct, nrt);\n\n    for (let k = 0; k < mrc; k++) {\n      if (k < nct) {\n        s[k] = 0;\n        for (let i = k; i < m; i++) {\n          s[k] = hypotenuse(s[k], a.get(i, k));\n        }\n        if (s[k] !== 0) {\n          if (a.get(k, k) < 0) {\n            s[k] = -s[k];\n          }\n          for (let i = k; i < m; i++) {\n            a.set(i, k, a.get(i, k) / s[k]);\n          }\n          a.set(k, k, a.get(k, k) + 1);\n        }\n        s[k] = -s[k];\n      }\n\n      for (let j = k + 1; j < n; j++) {\n        if (k < nct && s[k] !== 0) {\n          let t = 0;\n          for (let i = k; i < m; i++) {\n            t += a.get(i, k) * a.get(i, j);\n          }\n          t = -t / a.get(k, k);\n          for (let i = k; i < m; i++) {\n            a.set(i, j, a.get(i, j) + t * a.get(i, k));\n          }\n        }\n        e[j] = a.get(k, j);\n      }\n\n      if (wantu && k < nct) {\n        for (let i = k; i < m; i++) {\n          U.set(i, k, a.get(i, k));\n        }\n      }\n\n      if (k < nrt) {\n        e[k] = 0;\n        for (let i = k + 1; i < n; i++) {\n          e[k] = hypotenuse(e[k], e[i]);\n        }\n        if (e[k] !== 0) {\n          if (e[k + 1] < 0) {\n            e[k] = 0 - e[k];\n          }\n          for (let i = k + 1; i < n; i++) {\n            e[i] /= e[k];\n          }\n          e[k + 1] += 1;\n        }\n        e[k] = -e[k];\n        if (k + 1 < m && e[k] !== 0) {\n          for (let i = k + 1; i < m; i++) {\n            work[i] = 0;\n          }\n          for (let i = k + 1; i < m; i++) {\n            for (let j = k + 1; j < n; j++) {\n              work[i] += e[j] * a.get(i, j);\n            }\n          }\n          for (let j = k + 1; j < n; j++) {\n            let t = -e[j] / e[k + 1];\n            for (let i = k + 1; i < m; i++) {\n              a.set(i, j, a.get(i, j) + t * work[i]);\n            }\n          }\n        }\n        if (wantv) {\n          for (let i = k + 1; i < n; i++) {\n            V.set(i, k, e[i]);\n          }\n        }\n      }\n    }\n\n    let p = Math.min(n, m + 1);\n    if (nct < n) {\n      s[nct] = a.get(nct, nct);\n    }\n    if (m < p) {\n      s[p - 1] = 0;\n    }\n    if (nrt + 1 < p) {\n      e[nrt] = a.get(nrt, p - 1);\n    }\n    e[p - 1] = 0;\n\n    if (wantu) {\n      for (let j = nct; j < nu; j++) {\n        for (let i = 0; i < m; i++) {\n          U.set(i, j, 0);\n        }\n        U.set(j, j, 1);\n      }\n      for (let k = nct - 1; k >= 0; k--) {\n        if (s[k] !== 0) {\n          for (let j = k + 1; j < nu; j++) {\n            let t = 0;\n            for (let i = k; i < m; i++) {\n              t += U.get(i, k) * U.get(i, j);\n            }\n            t = -t / U.get(k, k);\n            for (let i = k; i < m; i++) {\n              U.set(i, j, U.get(i, j) + t * U.get(i, k));\n            }\n          }\n          for (let i = k; i < m; i++) {\n            U.set(i, k, -U.get(i, k));\n          }\n          U.set(k, k, 1 + U.get(k, k));\n          for (let i = 0; i < k - 1; i++) {\n            U.set(i, k, 0);\n          }\n        } else {\n          for (let i = 0; i < m; i++) {\n            U.set(i, k, 0);\n          }\n          U.set(k, k, 1);\n        }\n      }\n    }\n\n    if (wantv) {\n      for (let k = n - 1; k >= 0; k--) {\n        if (k < nrt && e[k] !== 0) {\n          for (let j = k + 1; j < n; j++) {\n            let t = 0;\n            for (let i = k + 1; i < n; i++) {\n              t += V.get(i, k) * V.get(i, j);\n            }\n            t = -t / V.get(k + 1, k);\n            for (let i = k + 1; i < n; i++) {\n              V.set(i, j, V.get(i, j) + t * V.get(i, k));\n            }\n          }\n        }\n        for (let i = 0; i < n; i++) {\n          V.set(i, k, 0);\n        }\n        V.set(k, k, 1);\n      }\n    }\n\n    let pp = p - 1;\n    let eps = Number.EPSILON;\n    while (p > 0) {\n      let k, kase;\n      for (k = p - 2; k >= -1; k--) {\n        if (k === -1) {\n          break;\n        }\n        const alpha =\n          Number.MIN_VALUE + eps * Math.abs(s[k] + Math.abs(s[k + 1]));\n        if (Math.abs(e[k]) <= alpha || Number.isNaN(e[k])) {\n          e[k] = 0;\n          break;\n        }\n      }\n      if (k === p - 2) {\n        kase = 4;\n      } else {\n        let ks;\n        for (ks = p - 1; ks >= k; ks--) {\n          if (ks === k) {\n            break;\n          }\n          let t =\n            (ks !== p ? Math.abs(e[ks]) : 0) +\n            (ks !== k + 1 ? Math.abs(e[ks - 1]) : 0);\n          if (Math.abs(s[ks]) <= eps * t) {\n            s[ks] = 0;\n            break;\n          }\n        }\n        if (ks === k) {\n          kase = 3;\n        } else if (ks === p - 1) {\n          kase = 1;\n        } else {\n          kase = 2;\n          k = ks;\n        }\n      }\n\n      k++;\n\n      switch (kase) {\n        case 1: {\n          let f = e[p - 2];\n          e[p - 2] = 0;\n          for (let j = p - 2; j >= k; j--) {\n            let t = hypotenuse(s[j], f);\n            let cs = s[j] / t;\n            let sn = f / t;\n            s[j] = t;\n            if (j !== k) {\n              f = -sn * e[j - 1];\n              e[j - 1] = cs * e[j - 1];\n            }\n            if (wantv) {\n              for (let i = 0; i < n; i++) {\n                t = cs * V.get(i, j) + sn * V.get(i, p - 1);\n                V.set(i, p - 1, -sn * V.get(i, j) + cs * V.get(i, p - 1));\n                V.set(i, j, t);\n              }\n            }\n          }\n          break;\n        }\n        case 2: {\n          let f = e[k - 1];\n          e[k - 1] = 0;\n          for (let j = k; j < p; j++) {\n            let t = hypotenuse(s[j], f);\n            let cs = s[j] / t;\n            let sn = f / t;\n            s[j] = t;\n            f = -sn * e[j];\n            e[j] = cs * e[j];\n            if (wantu) {\n              for (let i = 0; i < m; i++) {\n                t = cs * U.get(i, j) + sn * U.get(i, k - 1);\n                U.set(i, k - 1, -sn * U.get(i, j) + cs * U.get(i, k - 1));\n                U.set(i, j, t);\n              }\n            }\n          }\n          break;\n        }\n        case 3: {\n          const scale = Math.max(\n            Math.abs(s[p - 1]),\n            Math.abs(s[p - 2]),\n            Math.abs(e[p - 2]),\n            Math.abs(s[k]),\n            Math.abs(e[k]),\n          );\n          const sp = s[p - 1] / scale;\n          const spm1 = s[p - 2] / scale;\n          const epm1 = e[p - 2] / scale;\n          const sk = s[k] / scale;\n          const ek = e[k] / scale;\n          const b = ((spm1 + sp) * (spm1 - sp) + epm1 * epm1) / 2;\n          const c = sp * epm1 * (sp * epm1);\n          let shift = 0;\n          if (b !== 0 || c !== 0) {\n            if (b < 0) {\n              shift = 0 - Math.sqrt(b * b + c);\n            } else {\n              shift = Math.sqrt(b * b + c);\n            }\n            shift = c / (b + shift);\n          }\n          let f = (sk + sp) * (sk - sp) + shift;\n          let g = sk * ek;\n          for (let j = k; j < p - 1; j++) {\n            let t = hypotenuse(f, g);\n            if (t === 0) t = Number.MIN_VALUE;\n            let cs = f / t;\n            let sn = g / t;\n            if (j !== k) {\n              e[j - 1] = t;\n            }\n            f = cs * s[j] + sn * e[j];\n            e[j] = cs * e[j] - sn * s[j];\n            g = sn * s[j + 1];\n            s[j + 1] = cs * s[j + 1];\n            if (wantv) {\n              for (let i = 0; i < n; i++) {\n                t = cs * V.get(i, j) + sn * V.get(i, j + 1);\n                V.set(i, j + 1, -sn * V.get(i, j) + cs * V.get(i, j + 1));\n                V.set(i, j, t);\n              }\n            }\n            t = hypotenuse(f, g);\n            if (t === 0) t = Number.MIN_VALUE;\n            cs = f / t;\n            sn = g / t;\n            s[j] = t;\n            f = cs * e[j] + sn * s[j + 1];\n            s[j + 1] = -sn * e[j] + cs * s[j + 1];\n            g = sn * e[j + 1];\n            e[j + 1] = cs * e[j + 1];\n            if (wantu && j < m - 1) {\n              for (let i = 0; i < m; i++) {\n                t = cs * U.get(i, j) + sn * U.get(i, j + 1);\n                U.set(i, j + 1, -sn * U.get(i, j) + cs * U.get(i, j + 1));\n                U.set(i, j, t);\n              }\n            }\n          }\n          e[p - 2] = f;\n          break;\n        }\n        case 4: {\n          if (s[k] <= 0) {\n            s[k] = s[k] < 0 ? -s[k] : 0;\n            if (wantv) {\n              for (let i = 0; i <= pp; i++) {\n                V.set(i, k, -V.get(i, k));\n              }\n            }\n          }\n          while (k < pp) {\n            if (s[k] >= s[k + 1]) {\n              break;\n            }\n            let t = s[k];\n            s[k] = s[k + 1];\n            s[k + 1] = t;\n            if (wantv && k < n - 1) {\n              for (let i = 0; i < n; i++) {\n                t = V.get(i, k + 1);\n                V.set(i, k + 1, V.get(i, k));\n                V.set(i, k, t);\n              }\n            }\n            if (wantu && k < m - 1) {\n              for (let i = 0; i < m; i++) {\n                t = U.get(i, k + 1);\n                U.set(i, k + 1, U.get(i, k));\n                U.set(i, k, t);\n              }\n            }\n            k++;\n          }\n          p--;\n          break;\n        }\n        // no default\n      }\n    }\n\n    if (swapped) {\n      let tmp = V;\n      V = U;\n      U = tmp;\n    }\n\n    this.m = m;\n    this.n = n;\n    this.s = s;\n    this.U = U;\n    this.V = V;\n  }\n\n  solve(value) {\n    let Y = value;\n    let e = this.threshold;\n    let scols = this.s.length;\n    let Ls = Matrix.zeros(scols, scols);\n\n    for (let i = 0; i < scols; i++) {\n      if (Math.abs(this.s[i]) <= e) {\n        Ls.set(i, i, 0);\n      } else {\n        Ls.set(i, i, 1 / this.s[i]);\n      }\n    }\n\n    let U = this.U;\n    let V = this.rightSingularVectors;\n\n    let VL = V.mmul(Ls);\n    let vrows = V.rows;\n    let urows = U.rows;\n    let VLU = Matrix.zeros(vrows, urows);\n\n    for (let i = 0; i < vrows; i++) {\n      for (let j = 0; j < urows; j++) {\n        let sum = 0;\n        for (let k = 0; k < scols; k++) {\n          sum += VL.get(i, k) * U.get(j, k);\n        }\n        VLU.set(i, j, sum);\n      }\n    }\n\n    return VLU.mmul(Y);\n  }\n\n  solveForDiagonal(value) {\n    return this.solve(Matrix.diag(value));\n  }\n\n  inverse() {\n    let V = this.V;\n    let e = this.threshold;\n    let vrows = V.rows;\n    let vcols = V.columns;\n    let X = new Matrix(vrows, this.s.length);\n\n    for (let i = 0; i < vrows; i++) {\n      for (let j = 0; j < vcols; j++) {\n        if (Math.abs(this.s[j]) > e) {\n          X.set(i, j, V.get(i, j) / this.s[j]);\n        }\n      }\n    }\n\n    let U = this.U;\n\n    let urows = U.rows;\n    let ucols = U.columns;\n    let Y = new Matrix(vrows, urows);\n\n    for (let i = 0; i < vrows; i++) {\n      for (let j = 0; j < urows; j++) {\n        let sum = 0;\n        for (let k = 0; k < ucols; k++) {\n          sum += X.get(i, k) * U.get(j, k);\n        }\n        Y.set(i, j, sum);\n      }\n    }\n\n    return Y;\n  }\n\n  get condition() {\n    return this.s[0] / this.s[Math.min(this.m, this.n) - 1];\n  }\n\n  get norm2() {\n    return this.s[0];\n  }\n\n  get rank() {\n    let tol = Math.max(this.m, this.n) * this.s[0] * Number.EPSILON;\n    let r = 0;\n    let s = this.s;\n    for (let i = 0, ii = s.length; i < ii; i++) {\n      if (s[i] > tol) {\n        r++;\n      }\n    }\n    return r;\n  }\n\n  get diagonal() {\n    return Array.from(this.s);\n  }\n\n  get threshold() {\n    return (Number.EPSILON / 2) * Math.max(this.m, this.n) * this.s[0];\n  }\n\n  get leftSingularVectors() {\n    return this.U;\n  }\n\n  get rightSingularVectors() {\n    return this.V;\n  }\n\n  get diagonalMatrix() {\n    return Matrix.diag(this.s);\n  }\n}\n\nfunction inverse(matrix, useSVD = false) {\n  matrix = WrapperMatrix2D.checkMatrix(matrix);\n  if (useSVD) {\n    return new SingularValueDecomposition(matrix).inverse();\n  } else {\n    return solve(matrix, Matrix.eye(matrix.rows));\n  }\n}\n\nfunction solve(leftHandSide, rightHandSide, useSVD = false) {\n  leftHandSide = WrapperMatrix2D.checkMatrix(leftHandSide);\n  rightHandSide = WrapperMatrix2D.checkMatrix(rightHandSide);\n  if (useSVD) {\n    return new SingularValueDecomposition(leftHandSide).solve(rightHandSide);\n  } else {\n    return leftHandSide.isSquare()\n      ? new LuDecomposition(leftHandSide).solve(rightHandSide)\n      : new QrDecomposition(leftHandSide).solve(rightHandSide);\n  }\n}\n\nfunction determinant(matrix) {\n  matrix = Matrix.checkMatrix(matrix);\n  if (matrix.isSquare()) {\n    if (matrix.columns === 0) {\n      return 1;\n    }\n\n    let a, b, c, d;\n    if (matrix.columns === 2) {\n      // 2 x 2 matrix\n      a = matrix.get(0, 0);\n      b = matrix.get(0, 1);\n      c = matrix.get(1, 0);\n      d = matrix.get(1, 1);\n\n      return a * d - b * c;\n    } else if (matrix.columns === 3) {\n      // 3 x 3 matrix\n      let subMatrix0, subMatrix1, subMatrix2;\n      subMatrix0 = new MatrixSelectionView(matrix, [1, 2], [1, 2]);\n      subMatrix1 = new MatrixSelectionView(matrix, [1, 2], [0, 2]);\n      subMatrix2 = new MatrixSelectionView(matrix, [1, 2], [0, 1]);\n      a = matrix.get(0, 0);\n      b = matrix.get(0, 1);\n      c = matrix.get(0, 2);\n\n      return (\n        a * determinant(subMatrix0) -\n        b * determinant(subMatrix1) +\n        c * determinant(subMatrix2)\n      );\n    } else {\n      // general purpose determinant using the LU decomposition\n      return new LuDecomposition(matrix).determinant;\n    }\n  } else {\n    throw Error('determinant can only be calculated for a square matrix');\n  }\n}\n\nfunction xrange(n, exception) {\n  let range = [];\n  for (let i = 0; i < n; i++) {\n    if (i !== exception) {\n      range.push(i);\n    }\n  }\n  return range;\n}\n\nfunction dependenciesOneRow(\n  error,\n  matrix,\n  index,\n  thresholdValue = 10e-10,\n  thresholdError = 10e-10,\n) {\n  if (error > thresholdError) {\n    return new Array(matrix.rows + 1).fill(0);\n  } else {\n    let returnArray = matrix.addRow(index, [0]);\n    for (let i = 0; i < returnArray.rows; i++) {\n      if (Math.abs(returnArray.get(i, 0)) < thresholdValue) {\n        returnArray.set(i, 0, 0);\n      }\n    }\n    return returnArray.to1DArray();\n  }\n}\n\nfunction linearDependencies(matrix, options = {}) {\n  const { thresholdValue = 10e-10, thresholdError = 10e-10 } = options;\n  matrix = Matrix.checkMatrix(matrix);\n\n  let n = matrix.rows;\n  let results = new Matrix(n, n);\n\n  for (let i = 0; i < n; i++) {\n    let b = Matrix.columnVector(matrix.getRow(i));\n    let Abis = matrix.subMatrixRow(xrange(n, i)).transpose();\n    let svd = new SingularValueDecomposition(Abis);\n    let x = svd.solve(b);\n    let error = Matrix.sub(b, Abis.mmul(x)).abs().max();\n    results.setRow(\n      i,\n      dependenciesOneRow(error, x, i, thresholdValue, thresholdError),\n    );\n  }\n  return results;\n}\n\nfunction pseudoInverse(matrix, threshold = Number.EPSILON) {\n  matrix = Matrix.checkMatrix(matrix);\n  if (matrix.isEmpty()) {\n    // with a zero dimension, the pseudo-inverse is the transpose, since all 0xn and nx0 matrices are singular\n    // (0xn)*(nx0)*(0xn) = 0xn\n    // (nx0)*(0xn)*(nx0) = nx0\n    return matrix.transpose();\n  }\n  let svdSolution = new SingularValueDecomposition(matrix, { autoTranspose: true });\n\n  let U = svdSolution.leftSingularVectors;\n  let V = svdSolution.rightSingularVectors;\n  let s = svdSolution.diagonal;\n\n  for (let i = 0; i < s.length; i++) {\n    if (Math.abs(s[i]) > threshold) {\n      s[i] = 1.0 / s[i];\n    } else {\n      s[i] = 0.0;\n    }\n  }\n\n  return V.mmul(Matrix.diag(s).mmul(U.transpose()));\n}\n\nfunction covariance(xMatrix, yMatrix = xMatrix, options = {}) {\n  xMatrix = new Matrix(xMatrix);\n  let yIsSame = false;\n  if (\n    typeof yMatrix === 'object' &&\n    !Matrix.isMatrix(yMatrix) &&\n    !isAnyArray.isAnyArray(yMatrix)\n  ) {\n    options = yMatrix;\n    yMatrix = xMatrix;\n    yIsSame = true;\n  } else {\n    yMatrix = new Matrix(yMatrix);\n  }\n  if (xMatrix.rows !== yMatrix.rows) {\n    throw new TypeError('Both matrices must have the same number of rows');\n  }\n  const { center = true } = options;\n  if (center) {\n    xMatrix = xMatrix.center('column');\n    if (!yIsSame) {\n      yMatrix = yMatrix.center('column');\n    }\n  }\n  const cov = xMatrix.transpose().mmul(yMatrix);\n  for (let i = 0; i < cov.rows; i++) {\n    for (let j = 0; j < cov.columns; j++) {\n      cov.set(i, j, cov.get(i, j) * (1 / (xMatrix.rows - 1)));\n    }\n  }\n  return cov;\n}\n\nfunction correlation(xMatrix, yMatrix = xMatrix, options = {}) {\n  xMatrix = new Matrix(xMatrix);\n  let yIsSame = false;\n  if (\n    typeof yMatrix === 'object' &&\n    !Matrix.isMatrix(yMatrix) &&\n    !isAnyArray.isAnyArray(yMatrix)\n  ) {\n    options = yMatrix;\n    yMatrix = xMatrix;\n    yIsSame = true;\n  } else {\n    yMatrix = new Matrix(yMatrix);\n  }\n  if (xMatrix.rows !== yMatrix.rows) {\n    throw new TypeError('Both matrices must have the same number of rows');\n  }\n\n  const { center = true, scale = true } = options;\n  if (center) {\n    xMatrix.center('column');\n    if (!yIsSame) {\n      yMatrix.center('column');\n    }\n  }\n  if (scale) {\n    xMatrix.scale('column');\n    if (!yIsSame) {\n      yMatrix.scale('column');\n    }\n  }\n\n  const sdx = xMatrix.standardDeviation('column', { unbiased: true });\n  const sdy = yIsSame\n    ? sdx\n    : yMatrix.standardDeviation('column', { unbiased: true });\n\n  const corr = xMatrix.transpose().mmul(yMatrix);\n  for (let i = 0; i < corr.rows; i++) {\n    for (let j = 0; j < corr.columns; j++) {\n      corr.set(\n        i,\n        j,\n        corr.get(i, j) * (1 / (sdx[i] * sdy[j])) * (1 / (xMatrix.rows - 1)),\n      );\n    }\n  }\n  return corr;\n}\n\nclass EigenvalueDecomposition {\n  constructor(matrix, options = {}) {\n    const { assumeSymmetric = false } = options;\n\n    matrix = WrapperMatrix2D.checkMatrix(matrix);\n    if (!matrix.isSquare()) {\n      throw new Error('Matrix is not a square matrix');\n    }\n\n    if (matrix.isEmpty()) {\n      throw new Error('Matrix must be non-empty');\n    }\n\n    let n = matrix.columns;\n    let V = new Matrix(n, n);\n    let d = new Float64Array(n);\n    let e = new Float64Array(n);\n    let value = matrix;\n    let i, j;\n\n    let isSymmetric = false;\n    if (assumeSymmetric) {\n      isSymmetric = true;\n    } else {\n      isSymmetric = matrix.isSymmetric();\n    }\n\n    if (isSymmetric) {\n      for (i = 0; i < n; i++) {\n        for (j = 0; j < n; j++) {\n          V.set(i, j, value.get(i, j));\n        }\n      }\n      tred2(n, e, d, V);\n      tql2(n, e, d, V);\n    } else {\n      let H = new Matrix(n, n);\n      let ort = new Float64Array(n);\n      for (j = 0; j < n; j++) {\n        for (i = 0; i < n; i++) {\n          H.set(i, j, value.get(i, j));\n        }\n      }\n      orthes(n, H, ort, V);\n      hqr2(n, e, d, V, H);\n    }\n\n    this.n = n;\n    this.e = e;\n    this.d = d;\n    this.V = V;\n  }\n\n  get realEigenvalues() {\n    return Array.from(this.d);\n  }\n\n  get imaginaryEigenvalues() {\n    return Array.from(this.e);\n  }\n\n  get eigenvectorMatrix() {\n    return this.V;\n  }\n\n  get diagonalMatrix() {\n    let n = this.n;\n    let e = this.e;\n    let d = this.d;\n    let X = new Matrix(n, n);\n    let i, j;\n    for (i = 0; i < n; i++) {\n      for (j = 0; j < n; j++) {\n        X.set(i, j, 0);\n      }\n      X.set(i, i, d[i]);\n      if (e[i] > 0) {\n        X.set(i, i + 1, e[i]);\n      } else if (e[i] < 0) {\n        X.set(i, i - 1, e[i]);\n      }\n    }\n    return X;\n  }\n}\n\nfunction tred2(n, e, d, V) {\n  let f, g, h, i, j, k, hh, scale;\n\n  for (j = 0; j < n; j++) {\n    d[j] = V.get(n - 1, j);\n  }\n\n  for (i = n - 1; i > 0; i--) {\n    scale = 0;\n    h = 0;\n    for (k = 0; k < i; k++) {\n      scale = scale + Math.abs(d[k]);\n    }\n\n    if (scale === 0) {\n      e[i] = d[i - 1];\n      for (j = 0; j < i; j++) {\n        d[j] = V.get(i - 1, j);\n        V.set(i, j, 0);\n        V.set(j, i, 0);\n      }\n    } else {\n      for (k = 0; k < i; k++) {\n        d[k] /= scale;\n        h += d[k] * d[k];\n      }\n\n      f = d[i - 1];\n      g = Math.sqrt(h);\n      if (f > 0) {\n        g = -g;\n      }\n\n      e[i] = scale * g;\n      h = h - f * g;\n      d[i - 1] = f - g;\n      for (j = 0; j < i; j++) {\n        e[j] = 0;\n      }\n\n      for (j = 0; j < i; j++) {\n        f = d[j];\n        V.set(j, i, f);\n        g = e[j] + V.get(j, j) * f;\n        for (k = j + 1; k <= i - 1; k++) {\n          g += V.get(k, j) * d[k];\n          e[k] += V.get(k, j) * f;\n        }\n        e[j] = g;\n      }\n\n      f = 0;\n      for (j = 0; j < i; j++) {\n        e[j] /= h;\n        f += e[j] * d[j];\n      }\n\n      hh = f / (h + h);\n      for (j = 0; j < i; j++) {\n        e[j] -= hh * d[j];\n      }\n\n      for (j = 0; j < i; j++) {\n        f = d[j];\n        g = e[j];\n        for (k = j; k <= i - 1; k++) {\n          V.set(k, j, V.get(k, j) - (f * e[k] + g * d[k]));\n        }\n        d[j] = V.get(i - 1, j);\n        V.set(i, j, 0);\n      }\n    }\n    d[i] = h;\n  }\n\n  for (i = 0; i < n - 1; i++) {\n    V.set(n - 1, i, V.get(i, i));\n    V.set(i, i, 1);\n    h = d[i + 1];\n    if (h !== 0) {\n      for (k = 0; k <= i; k++) {\n        d[k] = V.get(k, i + 1) / h;\n      }\n\n      for (j = 0; j <= i; j++) {\n        g = 0;\n        for (k = 0; k <= i; k++) {\n          g += V.get(k, i + 1) * V.get(k, j);\n        }\n        for (k = 0; k <= i; k++) {\n          V.set(k, j, V.get(k, j) - g * d[k]);\n        }\n      }\n    }\n\n    for (k = 0; k <= i; k++) {\n      V.set(k, i + 1, 0);\n    }\n  }\n\n  for (j = 0; j < n; j++) {\n    d[j] = V.get(n - 1, j);\n    V.set(n - 1, j, 0);\n  }\n\n  V.set(n - 1, n - 1, 1);\n  e[0] = 0;\n}\n\nfunction tql2(n, e, d, V) {\n  let g, h, i, j, k, l, m, p, r, dl1, c, c2, c3, el1, s, s2;\n\n  for (i = 1; i < n; i++) {\n    e[i - 1] = e[i];\n  }\n\n  e[n - 1] = 0;\n\n  let f = 0;\n  let tst1 = 0;\n  let eps = Number.EPSILON;\n\n  for (l = 0; l < n; l++) {\n    tst1 = Math.max(tst1, Math.abs(d[l]) + Math.abs(e[l]));\n    m = l;\n    while (m < n) {\n      if (Math.abs(e[m]) <= eps * tst1) {\n        break;\n      }\n      m++;\n    }\n\n    if (m > l) {\n      do {\n\n        g = d[l];\n        p = (d[l + 1] - g) / (2 * e[l]);\n        r = hypotenuse(p, 1);\n        if (p < 0) {\n          r = -r;\n        }\n\n        d[l] = e[l] / (p + r);\n        d[l + 1] = e[l] * (p + r);\n        dl1 = d[l + 1];\n        h = g - d[l];\n        for (i = l + 2; i < n; i++) {\n          d[i] -= h;\n        }\n\n        f = f + h;\n\n        p = d[m];\n        c = 1;\n        c2 = c;\n        c3 = c;\n        el1 = e[l + 1];\n        s = 0;\n        s2 = 0;\n        for (i = m - 1; i >= l; i--) {\n          c3 = c2;\n          c2 = c;\n          s2 = s;\n          g = c * e[i];\n          h = c * p;\n          r = hypotenuse(p, e[i]);\n          e[i + 1] = s * r;\n          s = e[i] / r;\n          c = p / r;\n          p = c * d[i] - s * g;\n          d[i + 1] = h + s * (c * g + s * d[i]);\n\n          for (k = 0; k < n; k++) {\n            h = V.get(k, i + 1);\n            V.set(k, i + 1, s * V.get(k, i) + c * h);\n            V.set(k, i, c * V.get(k, i) - s * h);\n          }\n        }\n\n        p = (-s * s2 * c3 * el1 * e[l]) / dl1;\n        e[l] = s * p;\n        d[l] = c * p;\n      } while (Math.abs(e[l]) > eps * tst1);\n    }\n    d[l] = d[l] + f;\n    e[l] = 0;\n  }\n\n  for (i = 0; i < n - 1; i++) {\n    k = i;\n    p = d[i];\n    for (j = i + 1; j < n; j++) {\n      if (d[j] < p) {\n        k = j;\n        p = d[j];\n      }\n    }\n\n    if (k !== i) {\n      d[k] = d[i];\n      d[i] = p;\n      for (j = 0; j < n; j++) {\n        p = V.get(j, i);\n        V.set(j, i, V.get(j, k));\n        V.set(j, k, p);\n      }\n    }\n  }\n}\n\nfunction orthes(n, H, ort, V) {\n  let low = 0;\n  let high = n - 1;\n  let f, g, h, i, j, m;\n  let scale;\n\n  for (m = low + 1; m <= high - 1; m++) {\n    scale = 0;\n    for (i = m; i <= high; i++) {\n      scale = scale + Math.abs(H.get(i, m - 1));\n    }\n\n    if (scale !== 0) {\n      h = 0;\n      for (i = high; i >= m; i--) {\n        ort[i] = H.get(i, m - 1) / scale;\n        h += ort[i] * ort[i];\n      }\n\n      g = Math.sqrt(h);\n      if (ort[m] > 0) {\n        g = -g;\n      }\n\n      h = h - ort[m] * g;\n      ort[m] = ort[m] - g;\n\n      for (j = m; j < n; j++) {\n        f = 0;\n        for (i = high; i >= m; i--) {\n          f += ort[i] * H.get(i, j);\n        }\n\n        f = f / h;\n        for (i = m; i <= high; i++) {\n          H.set(i, j, H.get(i, j) - f * ort[i]);\n        }\n      }\n\n      for (i = 0; i <= high; i++) {\n        f = 0;\n        for (j = high; j >= m; j--) {\n          f += ort[j] * H.get(i, j);\n        }\n\n        f = f / h;\n        for (j = m; j <= high; j++) {\n          H.set(i, j, H.get(i, j) - f * ort[j]);\n        }\n      }\n\n      ort[m] = scale * ort[m];\n      H.set(m, m - 1, scale * g);\n    }\n  }\n\n  for (i = 0; i < n; i++) {\n    for (j = 0; j < n; j++) {\n      V.set(i, j, i === j ? 1 : 0);\n    }\n  }\n\n  for (m = high - 1; m >= low + 1; m--) {\n    if (H.get(m, m - 1) !== 0) {\n      for (i = m + 1; i <= high; i++) {\n        ort[i] = H.get(i, m - 1);\n      }\n\n      for (j = m; j <= high; j++) {\n        g = 0;\n        for (i = m; i <= high; i++) {\n          g += ort[i] * V.get(i, j);\n        }\n\n        g = g / ort[m] / H.get(m, m - 1);\n        for (i = m; i <= high; i++) {\n          V.set(i, j, V.get(i, j) + g * ort[i]);\n        }\n      }\n    }\n  }\n}\n\nfunction hqr2(nn, e, d, V, H) {\n  let n = nn - 1;\n  let low = 0;\n  let high = nn - 1;\n  let eps = Number.EPSILON;\n  let exshift = 0;\n  let norm = 0;\n  let p = 0;\n  let q = 0;\n  let r = 0;\n  let s = 0;\n  let z = 0;\n  let iter = 0;\n  let i, j, k, l, m, t, w, x, y;\n  let ra, sa, vr, vi;\n  let notlast, cdivres;\n\n  for (i = 0; i < nn; i++) {\n    if (i < low || i > high) {\n      d[i] = H.get(i, i);\n      e[i] = 0;\n    }\n\n    for (j = Math.max(i - 1, 0); j < nn; j++) {\n      norm = norm + Math.abs(H.get(i, j));\n    }\n  }\n\n  while (n >= low) {\n    l = n;\n    while (l > low) {\n      s = Math.abs(H.get(l - 1, l - 1)) + Math.abs(H.get(l, l));\n      if (s === 0) {\n        s = norm;\n      }\n      if (Math.abs(H.get(l, l - 1)) < eps * s) {\n        break;\n      }\n      l--;\n    }\n\n    if (l === n) {\n      H.set(n, n, H.get(n, n) + exshift);\n      d[n] = H.get(n, n);\n      e[n] = 0;\n      n--;\n      iter = 0;\n    } else if (l === n - 1) {\n      w = H.get(n, n - 1) * H.get(n - 1, n);\n      p = (H.get(n - 1, n - 1) - H.get(n, n)) / 2;\n      q = p * p + w;\n      z = Math.sqrt(Math.abs(q));\n      H.set(n, n, H.get(n, n) + exshift);\n      H.set(n - 1, n - 1, H.get(n - 1, n - 1) + exshift);\n      x = H.get(n, n);\n\n      if (q >= 0) {\n        z = p >= 0 ? p + z : p - z;\n        d[n - 1] = x + z;\n        d[n] = d[n - 1];\n        if (z !== 0) {\n          d[n] = x - w / z;\n        }\n        e[n - 1] = 0;\n        e[n] = 0;\n        x = H.get(n, n - 1);\n        s = Math.abs(x) + Math.abs(z);\n        p = x / s;\n        q = z / s;\n        r = Math.sqrt(p * p + q * q);\n        p = p / r;\n        q = q / r;\n\n        for (j = n - 1; j < nn; j++) {\n          z = H.get(n - 1, j);\n          H.set(n - 1, j, q * z + p * H.get(n, j));\n          H.set(n, j, q * H.get(n, j) - p * z);\n        }\n\n        for (i = 0; i <= n; i++) {\n          z = H.get(i, n - 1);\n          H.set(i, n - 1, q * z + p * H.get(i, n));\n          H.set(i, n, q * H.get(i, n) - p * z);\n        }\n\n        for (i = low; i <= high; i++) {\n          z = V.get(i, n - 1);\n          V.set(i, n - 1, q * z + p * V.get(i, n));\n          V.set(i, n, q * V.get(i, n) - p * z);\n        }\n      } else {\n        d[n - 1] = x + p;\n        d[n] = x + p;\n        e[n - 1] = z;\n        e[n] = -z;\n      }\n\n      n = n - 2;\n      iter = 0;\n    } else {\n      x = H.get(n, n);\n      y = 0;\n      w = 0;\n      if (l < n) {\n        y = H.get(n - 1, n - 1);\n        w = H.get(n, n - 1) * H.get(n - 1, n);\n      }\n\n      if (iter === 10) {\n        exshift += x;\n        for (i = low; i <= n; i++) {\n          H.set(i, i, H.get(i, i) - x);\n        }\n        s = Math.abs(H.get(n, n - 1)) + Math.abs(H.get(n - 1, n - 2));\n        // eslint-disable-next-line no-multi-assign\n        x = y = 0.75 * s;\n        w = -0.4375 * s * s;\n      }\n\n      if (iter === 30) {\n        s = (y - x) / 2;\n        s = s * s + w;\n        if (s > 0) {\n          s = Math.sqrt(s);\n          if (y < x) {\n            s = -s;\n          }\n          s = x - w / ((y - x) / 2 + s);\n          for (i = low; i <= n; i++) {\n            H.set(i, i, H.get(i, i) - s);\n          }\n          exshift += s;\n          // eslint-disable-next-line no-multi-assign\n          x = y = w = 0.964;\n        }\n      }\n\n      iter = iter + 1;\n\n      m = n - 2;\n      while (m >= l) {\n        z = H.get(m, m);\n        r = x - z;\n        s = y - z;\n        p = (r * s - w) / H.get(m + 1, m) + H.get(m, m + 1);\n        q = H.get(m + 1, m + 1) - z - r - s;\n        r = H.get(m + 2, m + 1);\n        s = Math.abs(p) + Math.abs(q) + Math.abs(r);\n        p = p / s;\n        q = q / s;\n        r = r / s;\n        if (m === l) {\n          break;\n        }\n        if (\n          Math.abs(H.get(m, m - 1)) * (Math.abs(q) + Math.abs(r)) <\n          eps *\n            (Math.abs(p) *\n              (Math.abs(H.get(m - 1, m - 1)) +\n                Math.abs(z) +\n                Math.abs(H.get(m + 1, m + 1))))\n        ) {\n          break;\n        }\n        m--;\n      }\n\n      for (i = m + 2; i <= n; i++) {\n        H.set(i, i - 2, 0);\n        if (i > m + 2) {\n          H.set(i, i - 3, 0);\n        }\n      }\n\n      for (k = m; k <= n - 1; k++) {\n        notlast = k !== n - 1;\n        if (k !== m) {\n          p = H.get(k, k - 1);\n          q = H.get(k + 1, k - 1);\n          r = notlast ? H.get(k + 2, k - 1) : 0;\n          x = Math.abs(p) + Math.abs(q) + Math.abs(r);\n          if (x !== 0) {\n            p = p / x;\n            q = q / x;\n            r = r / x;\n          }\n        }\n\n        if (x === 0) {\n          break;\n        }\n\n        s = Math.sqrt(p * p + q * q + r * r);\n        if (p < 0) {\n          s = -s;\n        }\n\n        if (s !== 0) {\n          if (k !== m) {\n            H.set(k, k - 1, -s * x);\n          } else if (l !== m) {\n            H.set(k, k - 1, -H.get(k, k - 1));\n          }\n\n          p = p + s;\n          x = p / s;\n          y = q / s;\n          z = r / s;\n          q = q / p;\n          r = r / p;\n\n          for (j = k; j < nn; j++) {\n            p = H.get(k, j) + q * H.get(k + 1, j);\n            if (notlast) {\n              p = p + r * H.get(k + 2, j);\n              H.set(k + 2, j, H.get(k + 2, j) - p * z);\n            }\n\n            H.set(k, j, H.get(k, j) - p * x);\n            H.set(k + 1, j, H.get(k + 1, j) - p * y);\n          }\n\n          for (i = 0; i <= Math.min(n, k + 3); i++) {\n            p = x * H.get(i, k) + y * H.get(i, k + 1);\n            if (notlast) {\n              p = p + z * H.get(i, k + 2);\n              H.set(i, k + 2, H.get(i, k + 2) - p * r);\n            }\n\n            H.set(i, k, H.get(i, k) - p);\n            H.set(i, k + 1, H.get(i, k + 1) - p * q);\n          }\n\n          for (i = low; i <= high; i++) {\n            p = x * V.get(i, k) + y * V.get(i, k + 1);\n            if (notlast) {\n              p = p + z * V.get(i, k + 2);\n              V.set(i, k + 2, V.get(i, k + 2) - p * r);\n            }\n\n            V.set(i, k, V.get(i, k) - p);\n            V.set(i, k + 1, V.get(i, k + 1) - p * q);\n          }\n        }\n      }\n    }\n  }\n\n  if (norm === 0) {\n    return;\n  }\n\n  for (n = nn - 1; n >= 0; n--) {\n    p = d[n];\n    q = e[n];\n\n    if (q === 0) {\n      l = n;\n      H.set(n, n, 1);\n      for (i = n - 1; i >= 0; i--) {\n        w = H.get(i, i) - p;\n        r = 0;\n        for (j = l; j <= n; j++) {\n          r = r + H.get(i, j) * H.get(j, n);\n        }\n\n        if (e[i] < 0) {\n          z = w;\n          s = r;\n        } else {\n          l = i;\n          if (e[i] === 0) {\n            H.set(i, n, w !== 0 ? -r / w : -r / (eps * norm));\n          } else {\n            x = H.get(i, i + 1);\n            y = H.get(i + 1, i);\n            q = (d[i] - p) * (d[i] - p) + e[i] * e[i];\n            t = (x * s - z * r) / q;\n            H.set(i, n, t);\n            H.set(\n              i + 1,\n              n,\n              Math.abs(x) > Math.abs(z) ? (-r - w * t) / x : (-s - y * t) / z,\n            );\n          }\n\n          t = Math.abs(H.get(i, n));\n          if (eps * t * t > 1) {\n            for (j = i; j <= n; j++) {\n              H.set(j, n, H.get(j, n) / t);\n            }\n          }\n        }\n      }\n    } else if (q < 0) {\n      l = n - 1;\n\n      if (Math.abs(H.get(n, n - 1)) > Math.abs(H.get(n - 1, n))) {\n        H.set(n - 1, n - 1, q / H.get(n, n - 1));\n        H.set(n - 1, n, -(H.get(n, n) - p) / H.get(n, n - 1));\n      } else {\n        cdivres = cdiv(0, -H.get(n - 1, n), H.get(n - 1, n - 1) - p, q);\n        H.set(n - 1, n - 1, cdivres[0]);\n        H.set(n - 1, n, cdivres[1]);\n      }\n\n      H.set(n, n - 1, 0);\n      H.set(n, n, 1);\n      for (i = n - 2; i >= 0; i--) {\n        ra = 0;\n        sa = 0;\n        for (j = l; j <= n; j++) {\n          ra = ra + H.get(i, j) * H.get(j, n - 1);\n          sa = sa + H.get(i, j) * H.get(j, n);\n        }\n\n        w = H.get(i, i) - p;\n\n        if (e[i] < 0) {\n          z = w;\n          r = ra;\n          s = sa;\n        } else {\n          l = i;\n          if (e[i] === 0) {\n            cdivres = cdiv(-ra, -sa, w, q);\n            H.set(i, n - 1, cdivres[0]);\n            H.set(i, n, cdivres[1]);\n          } else {\n            x = H.get(i, i + 1);\n            y = H.get(i + 1, i);\n            vr = (d[i] - p) * (d[i] - p) + e[i] * e[i] - q * q;\n            vi = (d[i] - p) * 2 * q;\n            if (vr === 0 && vi === 0) {\n              vr =\n                eps *\n                norm *\n                (Math.abs(w) +\n                  Math.abs(q) +\n                  Math.abs(x) +\n                  Math.abs(y) +\n                  Math.abs(z));\n            }\n            cdivres = cdiv(\n              x * r - z * ra + q * sa,\n              x * s - z * sa - q * ra,\n              vr,\n              vi,\n            );\n            H.set(i, n - 1, cdivres[0]);\n            H.set(i, n, cdivres[1]);\n            if (Math.abs(x) > Math.abs(z) + Math.abs(q)) {\n              H.set(\n                i + 1,\n                n - 1,\n                (-ra - w * H.get(i, n - 1) + q * H.get(i, n)) / x,\n              );\n              H.set(\n                i + 1,\n                n,\n                (-sa - w * H.get(i, n) - q * H.get(i, n - 1)) / x,\n              );\n            } else {\n              cdivres = cdiv(\n                -r - y * H.get(i, n - 1),\n                -s - y * H.get(i, n),\n                z,\n                q,\n              );\n              H.set(i + 1, n - 1, cdivres[0]);\n              H.set(i + 1, n, cdivres[1]);\n            }\n          }\n\n          t = Math.max(Math.abs(H.get(i, n - 1)), Math.abs(H.get(i, n)));\n          if (eps * t * t > 1) {\n            for (j = i; j <= n; j++) {\n              H.set(j, n - 1, H.get(j, n - 1) / t);\n              H.set(j, n, H.get(j, n) / t);\n            }\n          }\n        }\n      }\n    }\n  }\n\n  for (i = 0; i < nn; i++) {\n    if (i < low || i > high) {\n      for (j = i; j < nn; j++) {\n        V.set(i, j, H.get(i, j));\n      }\n    }\n  }\n\n  for (j = nn - 1; j >= low; j--) {\n    for (i = low; i <= high; i++) {\n      z = 0;\n      for (k = low; k <= Math.min(j, high); k++) {\n        z = z + V.get(i, k) * H.get(k, j);\n      }\n      V.set(i, j, z);\n    }\n  }\n}\n\nfunction cdiv(xr, xi, yr, yi) {\n  let r, d;\n  if (Math.abs(yr) > Math.abs(yi)) {\n    r = yi / yr;\n    d = yr + r * yi;\n    return [(xr + r * xi) / d, (xi - r * xr) / d];\n  } else {\n    r = yr / yi;\n    d = yi + r * yr;\n    return [(r * xr + xi) / d, (r * xi - xr) / d];\n  }\n}\n\nclass CholeskyDecomposition {\n  constructor(value) {\n    value = WrapperMatrix2D.checkMatrix(value);\n    if (!value.isSymmetric()) {\n      throw new Error('Matrix is not symmetric');\n    }\n\n    let a = value;\n    let dimension = a.rows;\n    let l = new Matrix(dimension, dimension);\n    let positiveDefinite = true;\n    let i, j, k;\n\n    for (j = 0; j < dimension; j++) {\n      let d = 0;\n      for (k = 0; k < j; k++) {\n        let s = 0;\n        for (i = 0; i < k; i++) {\n          s += l.get(k, i) * l.get(j, i);\n        }\n        s = (a.get(j, k) - s) / l.get(k, k);\n        l.set(j, k, s);\n        d = d + s * s;\n      }\n\n      d = a.get(j, j) - d;\n\n      positiveDefinite &&= d > 0;\n      l.set(j, j, Math.sqrt(Math.max(d, 0)));\n      for (k = j + 1; k < dimension; k++) {\n        l.set(j, k, 0);\n      }\n    }\n\n    this.L = l;\n    this.positiveDefinite = positiveDefinite;\n  }\n\n  isPositiveDefinite() {\n    return this.positiveDefinite;\n  }\n\n  solve(value) {\n    value = WrapperMatrix2D.checkMatrix(value);\n\n    let l = this.L;\n    let dimension = l.rows;\n\n    if (value.rows !== dimension) {\n      throw new Error('Matrix dimensions do not match');\n    }\n    if (this.isPositiveDefinite() === false) {\n      throw new Error('Matrix is not positive definite');\n    }\n\n    let count = value.columns;\n    let B = value.clone();\n    let i, j, k;\n\n    for (k = 0; k < dimension; k++) {\n      for (j = 0; j < count; j++) {\n        for (i = 0; i < k; i++) {\n          B.set(k, j, B.get(k, j) - B.get(i, j) * l.get(k, i));\n        }\n        B.set(k, j, B.get(k, j) / l.get(k, k));\n      }\n    }\n\n    for (k = dimension - 1; k >= 0; k--) {\n      for (j = 0; j < count; j++) {\n        for (i = k + 1; i < dimension; i++) {\n          B.set(k, j, B.get(k, j) - B.get(i, j) * l.get(i, k));\n        }\n        B.set(k, j, B.get(k, j) / l.get(k, k));\n      }\n    }\n\n    return B;\n  }\n\n  get lowerTriangularMatrix() {\n    return this.L;\n  }\n}\n\nclass nipals {\n  constructor(X, options = {}) {\n    X = WrapperMatrix2D.checkMatrix(X);\n    let { Y } = options;\n    const {\n      scaleScores = false,\n      maxIterations = 1000,\n      terminationCriteria = 1e-10,\n    } = options;\n\n    let u;\n    if (Y) {\n      if (isAnyArray.isAnyArray(Y) && typeof Y[0] === 'number') {\n        Y = Matrix.columnVector(Y);\n      } else {\n        Y = WrapperMatrix2D.checkMatrix(Y);\n      }\n      if (Y.rows !== X.rows) {\n        throw new Error('Y should have the same number of rows as X');\n      }\n      u = Y.getColumnVector(0);\n    } else {\n      u = X.getColumnVector(0);\n    }\n\n    let diff = 1;\n    let t, q, w, tOld;\n\n    for (\n      let counter = 0;\n      counter < maxIterations && diff > terminationCriteria;\n      counter++\n    ) {\n      w = X.transpose().mmul(u).div(u.transpose().mmul(u).get(0, 0));\n      w = w.div(w.norm());\n\n      t = X.mmul(w).div(w.transpose().mmul(w).get(0, 0));\n\n      if (counter > 0) {\n        diff = t.clone().sub(tOld).pow(2).sum();\n      }\n      tOld = t.clone();\n\n      if (Y) {\n        q = Y.transpose().mmul(t).div(t.transpose().mmul(t).get(0, 0));\n        q = q.div(q.norm());\n\n        u = Y.mmul(q).div(q.transpose().mmul(q).get(0, 0));\n      } else {\n        u = t;\n      }\n    }\n\n    if (Y) {\n      let p = X.transpose().mmul(t).div(t.transpose().mmul(t).get(0, 0));\n      p = p.div(p.norm());\n      let xResidual = X.clone().sub(t.clone().mmul(p.transpose()));\n      let residual = u.transpose().mmul(t).div(t.transpose().mmul(t).get(0, 0));\n      let yResidual = Y.clone().sub(\n        t.clone().mulS(residual.get(0, 0)).mmul(q.transpose()),\n      );\n\n      this.t = t;\n      this.p = p.transpose();\n      this.w = w.transpose();\n      this.q = q;\n      this.u = u;\n      this.s = t.transpose().mmul(t);\n      this.xResidual = xResidual;\n      this.yResidual = yResidual;\n      this.betas = residual;\n    } else {\n      this.w = w.transpose();\n      this.s = t.transpose().mmul(t).sqrt();\n      if (scaleScores) {\n        this.t = t.clone().div(this.s.get(0, 0));\n      } else {\n        this.t = t;\n      }\n      this.xResidual = X.sub(t.mmul(w.transpose()));\n    }\n  }\n}\n\nexports.AbstractMatrix = AbstractMatrix;\nexports.CHO = CholeskyDecomposition;\nexports.CholeskyDecomposition = CholeskyDecomposition;\nexports.DistanceMatrix = DistanceMatrix;\nexports.EVD = EigenvalueDecomposition;\nexports.EigenvalueDecomposition = EigenvalueDecomposition;\nexports.LU = LuDecomposition;\nexports.LuDecomposition = LuDecomposition;\nexports.Matrix = Matrix;\nexports.MatrixColumnSelectionView = MatrixColumnSelectionView;\nexports.MatrixColumnView = MatrixColumnView;\nexports.MatrixFlipColumnView = MatrixFlipColumnView;\nexports.MatrixFlipRowView = MatrixFlipRowView;\nexports.MatrixRowSelectionView = MatrixRowSelectionView;\nexports.MatrixRowView = MatrixRowView;\nexports.MatrixSelectionView = MatrixSelectionView;\nexports.MatrixSubView = MatrixSubView;\nexports.MatrixTransposeView = MatrixTransposeView;\nexports.NIPALS = nipals;\nexports.Nipals = nipals;\nexports.QR = QrDecomposition;\nexports.QrDecomposition = QrDecomposition;\nexports.SVD = SingularValueDecomposition;\nexports.SingularValueDecomposition = SingularValueDecomposition;\nexports.SymmetricMatrix = SymmetricMatrix;\nexports.WrapperMatrix1D = WrapperMatrix1D;\nexports.WrapperMatrix2D = WrapperMatrix2D;\nexports.correlation = correlation;\nexports.covariance = covariance;\nexports.default = Matrix;\nexports.determinant = determinant;\nexports.inverse = inverse;\nexports.linearDependencies = linearDependencies;\nexports.pseudoInverse = pseudoInverse;\nexports.solve = solve;\nexports.wrap = wrap;\n","import * as matrix from './matrix.js';\n\nexport const AbstractMatrix = matrix.AbstractMatrix;\nexport const CHO = matrix.CHO;\nexport const CholeskyDecomposition = matrix.CholeskyDecomposition;\nexport const DistanceMatrix = matrix.DistanceMatrix;\nexport const EVD = matrix.EVD;\nexport const EigenvalueDecomposition = matrix.EigenvalueDecomposition;\nexport const LU = matrix.LU;\nexport const LuDecomposition = matrix.LuDecomposition;\nexport const Matrix = matrix.Matrix;\nexport const MatrixColumnSelectionView = matrix.MatrixColumnSelectionView;\nexport const MatrixColumnView = matrix.MatrixColumnView;\nexport const MatrixFlipColumnView = matrix.MatrixFlipColumnView;\nexport const MatrixFlipRowView = matrix.MatrixFlipRowView;\nexport const MatrixRowSelectionView = matrix.MatrixRowSelectionView;\nexport const MatrixRowView = matrix.MatrixRowView;\nexport const MatrixSelectionView = matrix.MatrixSelectionView;\nexport const MatrixSubView = matrix.MatrixSubView;\nexport const MatrixTransposeView = matrix.MatrixTransposeView;\nexport const NIPALS = matrix.NIPALS;\nexport const Nipals = matrix.Nipals;\nexport const QR = matrix.QR;\nexport const QrDecomposition = matrix.QrDecomposition;\nexport const SVD = matrix.SVD;\nexport const SingularValueDecomposition = matrix.SingularValueDecomposition;\nexport const SymmetricMatrix = matrix.SymmetricMatrix;\nexport const WrapperMatrix1D = matrix.WrapperMatrix1D;\nexport const WrapperMatrix2D = matrix.WrapperMatrix2D;\nexport const correlation = matrix.correlation;\nexport const covariance = matrix.covariance;\nexport default matrix.default.Matrix ? matrix.default.Matrix : matrix.Matrix;\nexport const determinant = matrix.determinant;\nexport const inverse = matrix.inverse;\nexport const linearDependencies = matrix.linearDependencies;\nexport const pseudoInverse = matrix.pseudoInverse;\nexport const solve = matrix.solve;\nexport const wrap = matrix.wrap;\n","/**\n * Create an array with numbers between \"from\" and \"to\" of length \"length\"\n * @param options - options\n * @returns - array of distributed numbers between \"from\" and \"to\"\n */\nexport function createFromToArray(options = {}) {\n    const { from = 0, to = 1, length = 1000, includeFrom = true, includeTo = true, distribution = 'uniform', } = options;\n    const array = new Float64Array(length);\n    let div = length;\n    if (includeFrom && includeTo) {\n        div = length - 1;\n    }\n    else if ((!includeFrom && includeTo) || (includeFrom && !includeTo)) {\n        div = length;\n    }\n    else if (!includeFrom && !includeTo) {\n        div = length + 1;\n    }\n    const delta = (to - from) / div;\n    if (distribution === 'uniform') {\n        if (includeFrom) {\n            let index = 0;\n            while (index < length) {\n                array[index] = from + delta * index;\n                index++;\n            }\n        }\n        else {\n            let index = 0;\n            while (index < length) {\n                array[index] = from + delta * (index + 1);\n                index++;\n            }\n        }\n    }\n    else if (distribution === 'log') {\n        const base = (to / from) ** (1 / div);\n        const firstExponent = Math.log(from) / Math.log(base);\n        if (includeFrom) {\n            let index = 0;\n            while (index < length) {\n                array[index] = base ** (firstExponent + index);\n                index++;\n            }\n        }\n        else {\n            let index = 0;\n            while (index < length) {\n                array[index] = base ** (firstExponent + index + 1);\n                index++;\n            }\n        }\n    }\n    else {\n        throw new Error('distribution must be uniform or log');\n    }\n    return array;\n}\n//# sourceMappingURL=createFromToArray.js.map","const LOOP = 8;\nconst FLOAT_MUL = 1 / 16777216;\nconst sh1 = 15;\nconst sh2 = 18;\nconst sh3 = 11;\nfunction multiplyUint32(n, m) {\n    n >>>= 0;\n    m >>>= 0;\n    const nlo = n & 0xffff;\n    const nhi = n - nlo;\n    return (((nhi * m) >>> 0) + nlo * m) >>> 0;\n}\nexport class XSadd {\n    random;\n    state;\n    /**\n     * create an instance of XSadd with the specified seed\n     * @param [seed=Date.now()]\n     */\n    constructor(seed = Date.now()) {\n        this.state = new Uint32Array(4);\n        this.init(seed);\n        this.random = this.getFloat.bind(this);\n    }\n    /**\n     * Returns a 32-bit integer r (0 <= r < 2^32)\n     */\n    getUint32() {\n        this.nextState();\n        return (this.state[3] + this.state[2]) >>> 0;\n    }\n    /**\n     * Returns a floating point number r (0.0 <= r < 1.0)\n     */\n    getFloat() {\n        return (this.getUint32() >>> 8) * FLOAT_MUL;\n    }\n    init(seed) {\n        if (!Number.isInteger(seed)) {\n            throw new TypeError(\"seed must be an integer\");\n        }\n        this.state[0] = seed;\n        this.state[1] = 0;\n        this.state[2] = 0;\n        this.state[3] = 0;\n        for (let i = 1; i < LOOP; i++) {\n            this.state[i & 3] ^=\n                (i +\n                    multiplyUint32(1812433253, this.state[(i - 1) & 3] ^ ((this.state[(i - 1) & 3] >>> 30) >>> 0))) >>>\n                    0;\n        }\n        this.periodCertification();\n        for (let i = 0; i < LOOP; i++) {\n            this.nextState();\n        }\n    }\n    periodCertification() {\n        if (this.state[0] === 0 &&\n            this.state[1] === 0 &&\n            this.state[2] === 0 &&\n            this.state[3] === 0) {\n            this.state[0] = 88; // X\n            this.state[1] = 83; // S\n            this.state[2] = 65; // A\n            this.state[3] = 68; // D\n        }\n    }\n    nextState() {\n        let t = this.state[0];\n        t ^= t << sh1;\n        t ^= t >>> sh2;\n        t ^= this.state[3] << sh3;\n        this.state[0] = this.state[1];\n        this.state[1] = this.state[2];\n        this.state[2] = this.state[3];\n        this.state[3] = t;\n    }\n}\n//# sourceMappingURL=XSadd.js.map","import { XSadd } from 'ml-xsadd';\n/**\n * Create a random array of numbers of a specific length.\n * @param options\n * @returns - array of random floats normally distributed\n */\nexport function createRandomArray(options = {}) {\n    const { mean = 0, standardDeviation = 1, length = 1000, range = 1, seed, distribution = 'normal', } = options;\n    const generator = new XSadd(seed);\n    const returnArray = new Float64Array(length);\n    switch (distribution) {\n        case 'normal': {\n            const gaussianGenerator = new GaussianGenerator(mean, standardDeviation, generator);\n            for (let i = 0; i < length; i++) {\n                returnArray[i] = gaussianGenerator.generateGaussian();\n            }\n            break;\n        }\n        case 'uniform': {\n            for (let i = 0; i < length; i++) {\n                returnArray[i] = (generator.random() - 0.5) * range + mean;\n            }\n            break;\n        }\n        default: {\n            throw new Error(`unknown distribution: ${String(distribution)}`);\n        }\n    }\n    return returnArray;\n}\nclass GaussianGenerator {\n    #spare = 0;\n    #hasSpare = false;\n    #mean;\n    #standardDeviation;\n    #generator;\n    constructor(mean, standardDeviation, generator) {\n        this.#mean = mean;\n        this.#standardDeviation = standardDeviation;\n        this.#generator = generator;\n    }\n    generateGaussian() {\n        let val, u, v, s;\n        if (this.#hasSpare) {\n            this.#hasSpare = false;\n            val = this.#spare * this.#standardDeviation + this.#mean;\n        }\n        else {\n            do {\n                u = this.#generator.random() * 2 - 1;\n                v = this.#generator.random() * 2 - 1;\n                s = u * u + v * v;\n            } while (s >= 1 || s === 0);\n            s = Math.sqrt((-2 * Math.log(s)) / s);\n            this.#spare = v * s;\n            this.#hasSpare = true;\n            val = this.#mean + this.#standardDeviation * u * s;\n        }\n        return val;\n    }\n}\n//# sourceMappingURL=createRandomArray.js.map","/**\n * Resolves all promises in an object recursively. The promise with be replaced by the resolved value.\n * The changes are therefore done in-place !\n * @param object\n * @returns\n */\nexport async function recursiveResolve(object) {\n    if (typeof object !== 'object')\n        return object;\n    const promises = [];\n    await appendPromises(object, promises);\n    await Promise.all(promises);\n    return object;\n}\nfunction appendPromises(object, promises) {\n    if (typeof object !== 'object')\n        return object;\n    for (const key in object) {\n        if (typeof object[key].then === 'function') {\n            promises.push(object[key].then((value) => (object[key] = value)));\n        }\n        else if (typeof object[key] === 'object') {\n            appendPromises(object[key], promises);\n        }\n    }\n    return object;\n}\n//# sourceMappingURL=recursiveResolve.js.map","import { xCheck } from './xCheck';\nimport { xGetFromToIndex } from './xGetFromToIndex';\n/**\n * Computes the maximal value of an array of values\n * @param array - array of numbers\n * @param options - options\n */\nexport function xMaxValue(array, options = {}) {\n    xCheck(array);\n    const { fromIndex, toIndex } = xGetFromToIndex(array, options);\n    let maxValue = array[fromIndex];\n    for (let i = fromIndex + 1; i <= toIndex; i++) {\n        if (array[i] > maxValue) {\n            maxValue = array[i];\n        }\n    }\n    return maxValue;\n}\n//# sourceMappingURL=xMaxValue.js.map","/**\n * Check if the values are separated always by the same difference\n * @param array - Monotone growing array of number\n * @param options\n */\nexport function xIsEquallySpaced(array, options = {}) {\n    if (array.length < 3)\n        return true;\n    const { tolerance = 0.05 } = options;\n    let maxDx = 0;\n    let minDx = Number.MAX_SAFE_INTEGER;\n    for (let i = 0; i < array.length - 1; ++i) {\n        const absoluteDifference = array[i + 1] - array[i];\n        if (absoluteDifference < minDx) {\n            minDx = absoluteDifference;\n        }\n        if (absoluteDifference > maxDx) {\n            maxDx = absoluteDifference;\n        }\n    }\n    return (maxDx - minDx) / maxDx < tolerance;\n}\n//# sourceMappingURL=xIsEquallySpaced.js.map","/**\n * Returns true if x is monotonic.\n * @param array - array of numbers.\n * @returns 1 if monotonic increasing, -1 if monotonic decreasing, 0 if not monotonic.\n */\nexport function xIsMonotonic(array) {\n    if (array.length <= 2) {\n        return 1;\n    }\n    if (array[0] === array[1]) {\n        // maybe a constant series\n        for (let i = 1; i < array.length - 1; i++) {\n            if (array[i] !== array[i + 1])\n                return 0;\n        }\n        return 1;\n    }\n    if (array[0] < array.at(-1)) {\n        for (let i = 0; i < array.length - 1; i++) {\n            if (array[i] >= array[i + 1])\n                return 0;\n        }\n        return 1;\n    }\n    else {\n        for (let i = 0; i < array.length - 1; i++) {\n            if (array[i] <= array[i + 1])\n                return 0;\n        }\n        return -1;\n    }\n}\n//# sourceMappingURL=xIsMonotonic.js.map","import { xMedian } from './xMedian';\n/**\n * This function calculates the median absolute deviation (MAD).\n * https://en.wikipedia.org/wiki/Median_absolute_deviation\n * @param array\n */\nexport function xMedianAbsoluteDeviation(array) {\n    const median = xMedian(array);\n    const averageDeviations = new Float64Array(array.length);\n    for (let i = 0; i < array.length; i++) {\n        averageDeviations[i] = Math.abs(array[i] - median);\n    }\n    return {\n        median,\n        mad: xMedian(averageDeviations),\n    };\n}\n//# sourceMappingURL=xMedianAbsoluteDeviation.js.map","import { xCheck } from './xCheck';\n/**\n * Return min and max values of an array.\n * @param array - array of number\n * @returns - Object with 2 properties, min and max.\n */\nexport function xMinMaxValues(array) {\n    xCheck(array);\n    let min = array[0];\n    let max = array[0];\n    for (const value of array) {\n        if (value < min)\n            min = value;\n        if (value > max)\n            max = value;\n    }\n    return { min, max };\n}\n//# sourceMappingURL=xMinMaxValues.js.map","(function (global, factory) {\n  typeof exports === 'object' && typeof module !== 'undefined' ? factory(exports) :\n  typeof define === 'function' && define.amd ? define(['exports'], factory) :\n  (factory((global.d3_array = {})));\n}(this, function (exports) { 'use strict';\n\n  function ascending(a, b) {\n    return a < b ? -1 : a > b ? 1 : a >= b ? 0 : NaN;\n  }\n\n  function bisector(compare) {\n    if (compare.length === 1) compare = ascendingComparator(compare);\n    return {\n      left: function(a, x, lo, hi) {\n        if (lo == null) lo = 0;\n        if (hi == null) hi = a.length;\n        while (lo < hi) {\n          var mid = lo + hi >>> 1;\n          if (compare(a[mid], x) < 0) lo = mid + 1;\n          else hi = mid;\n        }\n        return lo;\n      },\n      right: function(a, x, lo, hi) {\n        if (lo == null) lo = 0;\n        if (hi == null) hi = a.length;\n        while (lo < hi) {\n          var mid = lo + hi >>> 1;\n          if (compare(a[mid], x) > 0) hi = mid;\n          else lo = mid + 1;\n        }\n        return lo;\n      }\n    };\n  }\n\n  function ascendingComparator(f) {\n    return function(d, x) {\n      return ascending(f(d), x);\n    };\n  }\n\n  var ascendingBisect = bisector(ascending);\n  var bisectRight = ascendingBisect.right;\n  var bisectLeft = ascendingBisect.left;\n\n  function descending(a, b) {\n    return b < a ? -1 : b > a ? 1 : b >= a ? 0 : NaN;\n  }\n\n  function number$1(x) {\n    return x === null ? NaN : +x;\n  }\n\n  function variance(array, f) {\n    var n = array.length,\n        m = 0,\n        a,\n        d,\n        s = 0,\n        i = -1,\n        j = 0;\n\n    if (f == null) {\n      while (++i < n) {\n        if (!isNaN(a = number$1(array[i]))) {\n          d = a - m;\n          m += d / ++j;\n          s += d * (a - m);\n        }\n      }\n    }\n\n    else {\n      while (++i < n) {\n        if (!isNaN(a = number$1(f(array[i], i, array)))) {\n          d = a - m;\n          m += d / ++j;\n          s += d * (a - m);\n        }\n      }\n    }\n\n    if (j > 1) return s / (j - 1);\n  }\n\n  function deviation(array, f) {\n    var v = variance(array, f);\n    return v ? Math.sqrt(v) : v;\n  }\n\n  function extent(array, f) {\n    var i = -1,\n        n = array.length,\n        a,\n        b,\n        c;\n\n    if (f == null) {\n      while (++i < n) if ((b = array[i]) != null && b >= b) { a = c = b; break; }\n      while (++i < n) if ((b = array[i]) != null) {\n        if (a > b) a = b;\n        if (c < b) c = b;\n      }\n    }\n\n    else {\n      while (++i < n) if ((b = f(array[i], i, array)) != null && b >= b) { a = c = b; break; }\n      while (++i < n) if ((b = f(array[i], i, array)) != null) {\n        if (a > b) a = b;\n        if (c < b) c = b;\n      }\n    }\n\n    return [a, c];\n  }\n\n  function constant(x) {\n    return function() {\n      return x;\n    };\n  }\n\n  function identity(x) {\n    return x;\n  }\n\n  function range(start, stop, step) {\n    start = +start, stop = +stop, step = (n = arguments.length) < 2 ? (stop = start, start = 0, 1) : n < 3 ? 1 : +step;\n\n    var i = -1,\n        n = Math.max(0, Math.ceil((stop - start) / step)) | 0,\n        range = new Array(n);\n\n    while (++i < n) {\n      range[i] = start + i * step;\n    }\n\n    return range;\n  }\n\n  var e10 = Math.sqrt(50);\n  var e5 = Math.sqrt(10);\n  var e2 = Math.sqrt(2);\n  function ticks(start, stop, count) {\n    var step = tickStep(start, stop, count);\n    return range(\n      Math.ceil(start / step) * step,\n      Math.floor(stop / step) * step + step / 2, // inclusive\n      step\n    );\n  }\n\n  function tickStep(start, stop, count) {\n    var step0 = Math.abs(stop - start) / Math.max(0, count),\n        step1 = Math.pow(10, Math.floor(Math.log(step0) / Math.LN10)),\n        error = step0 / step1;\n    if (error >= e10) step1 *= 10;\n    else if (error >= e5) step1 *= 5;\n    else if (error >= e2) step1 *= 2;\n    return stop < start ? -step1 : step1;\n  }\n\n  function sturges(values) {\n    return Math.ceil(Math.log(values.length) / Math.LN2) + 1;\n  }\n\n  function number(x) {\n    return +x;\n  }\n\n  function histogram() {\n    var value = identity,\n        domain = extent,\n        threshold = sturges;\n\n    function histogram(data) {\n      var i,\n          n = data.length,\n          x,\n          values = new Array(n);\n\n      // Coerce values to numbers.\n      for (i = 0; i < n; ++i) {\n        values[i] = +value(data[i], i, data);\n      }\n\n      var xz = domain(values),\n          x0 = +xz[0],\n          x1 = +xz[1],\n          tz = threshold(values, x0, x1);\n\n      // Convert number of thresholds into uniform thresholds.\n      if (!Array.isArray(tz)) tz = ticks(x0, x1, +tz);\n\n      // Coerce thresholds to numbers, ignoring any outside the domain.\n      var m = tz.length;\n      for (i = 0; i < m; ++i) tz[i] = +tz[i];\n      while (tz[0] <= x0) tz.shift(), --m;\n      while (tz[m - 1] >= x1) tz.pop(), --m;\n\n      var bins = new Array(m + 1),\n          bin;\n\n      // Initialize bins.\n      for (i = 0; i <= m; ++i) {\n        bin = bins[i] = [];\n        bin.x0 = i > 0 ? tz[i - 1] : x0;\n        bin.x1 = i < m ? tz[i] : x1;\n      }\n\n      // Assign data to bins by value, ignoring any outside the domain.\n      for (i = 0; i < n; ++i) {\n        x = values[i];\n        if (x0 <= x && x <= x1) {\n          bins[bisectRight(tz, x, 0, m)].push(data[i]);\n        }\n      }\n\n      return bins;\n    }\n\n    histogram.value = function(_) {\n      return arguments.length ? (value = typeof _ === \"function\" ? _ : constant(+_), histogram) : value;\n    };\n\n    histogram.domain = function(_) {\n      return arguments.length ? (domain = typeof _ === \"function\" ? _ : constant([+_[0], +_[1]]), histogram) : domain;\n    };\n\n    histogram.thresholds = function(_) {\n      if (!arguments.length) return threshold;\n      threshold = typeof _ === \"function\" ? _\n          : Array.isArray(_) ? constant(Array.prototype.map.call(_, number))\n          : constant(+_);\n      return histogram;\n    };\n\n    return histogram;\n  }\n\n  function quantile(array, p, f) {\n    if (f == null) f = number$1;\n    if (!(n = array.length)) return;\n    if ((p = +p) <= 0 || n < 2) return +f(array[0], 0, array);\n    if (p >= 1) return +f(array[n - 1], n - 1, array);\n    var n,\n        h = (n - 1) * p,\n        i = Math.floor(h),\n        a = +f(array[i], i, array),\n        b = +f(array[i + 1], i + 1, array);\n    return a + (b - a) * (h - i);\n  }\n\n  function freedmanDiaconis(values, min, max) {\n    values.sort(ascending);\n    return Math.ceil((max - min) / (2 * (quantile(values, 0.75) - quantile(values, 0.25)) * Math.pow(values.length, -1 / 3)));\n  }\n\n  function scott(values, min, max) {\n    return Math.ceil((max - min) / (3.5 * deviation(values) * Math.pow(values.length, -1 / 3)));\n  }\n\n  function max(array, f) {\n    var i = -1,\n        n = array.length,\n        a,\n        b;\n\n    if (f == null) {\n      while (++i < n) if ((b = array[i]) != null && b >= b) { a = b; break; }\n      while (++i < n) if ((b = array[i]) != null && b > a) a = b;\n    }\n\n    else {\n      while (++i < n) if ((b = f(array[i], i, array)) != null && b >= b) { a = b; break; }\n      while (++i < n) if ((b = f(array[i], i, array)) != null && b > a) a = b;\n    }\n\n    return a;\n  }\n\n  function mean(array, f) {\n    var s = 0,\n        n = array.length,\n        a,\n        i = -1,\n        j = n;\n\n    if (f == null) {\n      while (++i < n) if (!isNaN(a = number$1(array[i]))) s += a; else --j;\n    }\n\n    else {\n      while (++i < n) if (!isNaN(a = number$1(f(array[i], i, array)))) s += a; else --j;\n    }\n\n    if (j) return s / j;\n  }\n\n  function median(array, f) {\n    var numbers = [],\n        n = array.length,\n        a,\n        i = -1;\n\n    if (f == null) {\n      while (++i < n) if (!isNaN(a = number$1(array[i]))) numbers.push(a);\n    }\n\n    else {\n      while (++i < n) if (!isNaN(a = number$1(f(array[i], i, array)))) numbers.push(a);\n    }\n\n    return quantile(numbers.sort(ascending), 0.5);\n  }\n\n  function merge(arrays) {\n    var n = arrays.length,\n        m,\n        i = -1,\n        j = 0,\n        merged,\n        array;\n\n    while (++i < n) j += arrays[i].length;\n    merged = new Array(j);\n\n    while (--n >= 0) {\n      array = arrays[n];\n      m = array.length;\n      while (--m >= 0) {\n        merged[--j] = array[m];\n      }\n    }\n\n    return merged;\n  }\n\n  function min(array, f) {\n    var i = -1,\n        n = array.length,\n        a,\n        b;\n\n    if (f == null) {\n      while (++i < n) if ((b = array[i]) != null && b >= b) { a = b; break; }\n      while (++i < n) if ((b = array[i]) != null && a > b) a = b;\n    }\n\n    else {\n      while (++i < n) if ((b = f(array[i], i, array)) != null && b >= b) { a = b; break; }\n      while (++i < n) if ((b = f(array[i], i, array)) != null && a > b) a = b;\n    }\n\n    return a;\n  }\n\n  function pairs(array) {\n    var i = 0, n = array.length - 1, p = array[0], pairs = new Array(n < 0 ? 0 : n);\n    while (i < n) pairs[i] = [p, p = array[++i]];\n    return pairs;\n  }\n\n  function permute(array, indexes) {\n    var i = indexes.length, permutes = new Array(i);\n    while (i--) permutes[i] = array[indexes[i]];\n    return permutes;\n  }\n\n  function scan(array, compare) {\n    if (!(n = array.length)) return;\n    var i = 0,\n        n,\n        j = 0,\n        xi,\n        xj = array[j];\n\n    if (!compare) compare = ascending;\n\n    while (++i < n) if (compare(xi = array[i], xj) < 0 || compare(xj, xj) !== 0) xj = xi, j = i;\n\n    if (compare(xj, xj) === 0) return j;\n  }\n\n  function shuffle(array, i0, i1) {\n    var m = (i1 == null ? array.length : i1) - (i0 = i0 == null ? 0 : +i0),\n        t,\n        i;\n\n    while (m) {\n      i = Math.random() * m-- | 0;\n      t = array[m + i0];\n      array[m + i0] = array[i + i0];\n      array[i + i0] = t;\n    }\n\n    return array;\n  }\n\n  function sum(array, f) {\n    var s = 0,\n        n = array.length,\n        a,\n        i = -1;\n\n    if (f == null) {\n      while (++i < n) if (a = +array[i]) s += a; // Note: zero and null are equivalent.\n    }\n\n    else {\n      while (++i < n) if (a = +f(array[i], i, array)) s += a;\n    }\n\n    return s;\n  }\n\n  function transpose(matrix) {\n    if (!(n = matrix.length)) return [];\n    for (var i = -1, m = min(matrix, length), transpose = new Array(m); ++i < m;) {\n      for (var j = -1, n, row = transpose[i] = new Array(n); ++j < n;) {\n        row[j] = matrix[j][i];\n      }\n    }\n    return transpose;\n  }\n\n  function length(d) {\n    return d.length;\n  }\n\n  function zip() {\n    return transpose(arguments);\n  }\n\n  var version = \"0.7.1\";\n\n  exports.version = version;\n  exports.bisect = bisectRight;\n  exports.bisectRight = bisectRight;\n  exports.bisectLeft = bisectLeft;\n  exports.ascending = ascending;\n  exports.bisector = bisector;\n  exports.descending = descending;\n  exports.deviation = deviation;\n  exports.extent = extent;\n  exports.histogram = histogram;\n  exports.thresholdFreedmanDiaconis = freedmanDiaconis;\n  exports.thresholdScott = scott;\n  exports.thresholdSturges = sturges;\n  exports.max = max;\n  exports.mean = mean;\n  exports.median = median;\n  exports.merge = merge;\n  exports.min = min;\n  exports.pairs = pairs;\n  exports.permute = permute;\n  exports.quantile = quantile;\n  exports.range = range;\n  exports.scan = scan;\n  exports.shuffle = shuffle;\n  exports.sum = sum;\n  exports.ticks = ticks;\n  exports.tickStep = tickStep;\n  exports.transpose = transpose;\n  exports.variance = variance;\n  exports.zip = zip;\n\n}));","const {bisectRight} = require('d3-array')\n\nconst quincunx = (u, v, w, q) => {\n  const n = u.length - 1\n\n  u[0] = 0\n  v[0] = 0\n  w[0] = 0\n  v[1] = v[1] / u[1]\n  w[1] = w[1] / u[1]\n  for (let i = 2; i < n; ++i) {\n    u[i] = u[i] - u[i - 2] * w[i - 2] * w[i - 2] - u[i - 1] * v[i - 1] * v[i - 1]\n    v[i] = (v[i] - u[i - 1] * v[i - 1] * w[i - 1]) / u[i]\n    w[i] = w[i] / u[i]\n  }\n\n  for (let i = 2; i < n; ++i) {\n    q[i] = q[i] - v[i - 1] * q[i - 1] - w[i - 2] * q[i - 2]\n  }\n  for (let i = 1; i < n; ++i) {\n    q[i] = q[i] / u[i]\n  }\n\n  q[n - 2] = q[n - 2] - v[n - 2] * q[n - 1]\n  for (let i = n - 3; i > 0; --i) {\n    q[i] = q[i] - v[i] * q[i + 1] - w[i] * q[i + 2]\n  }\n}\n\nconst smoothingSpline = (x, y, sigma, lambda) => {\n  const n = x.length - 1\n  const h = new Array(n + 1)\n  const r = new Array(n + 1)\n  const f = new Array(n + 1)\n  const p = new Array(n + 1)\n  const q = new Array(n + 1)\n  const u = new Array(n + 1)\n  const v = new Array(n + 1)\n  const w = new Array(n + 1)\n  const params = x.map(() => [0, 0, 0, 0])\n  params.pop()\n\n  const mu = 2 * (1 - lambda) / (3 * lambda)\n  for (let i = 0; i < n; ++i) {\n    h[i] = x[i + 1] - x[i]\n    r[i] = 3 / h[i]\n  }\n  q[0] = 0\n  for (let i = 1; i < n; ++i) {\n    f[i] = -(r[i - 1] + r[i])\n    p[i] = 2 * (x[i + 1] - x[i - 1])\n    q[i] = 3 * (y[i + 1] - y[i]) / h[i] - 3 * (y[i] - y[i - 1]) / h[i - 1]\n  }\n  q[n] = 0\n\n  for (let i = 1; i < n; ++i) {\n    u[i] = r[i - 1] * r[i - 1] * sigma[i - 1] + f[i] * f[i] * sigma[i] + r[i] * r[i] * sigma[i + 1]\n    u[i] = mu * u[i] + p[i]\n  }\n  for (let i = 1; i < n - 1; ++i) {\n    v[i] = f[i] * r[i] * sigma[i] + r[i] * f[i + 1] * sigma[i + 1]\n    v[i] = mu * v[i] + h[i]\n  }\n  for (let i = 1; i < n - 2; ++i) {\n    w[i] = mu * r[i] * r[i + 1] * sigma[i + 1]\n  }\n\n  quincunx(u, v, w, q)\n\n  params[0][3] = y[0] - mu * r[0] * q[1] * sigma[0]\n  params[1][3] = y[1] - mu * (f[1] * q[1] + r[1] * q[2]) * sigma[0]\n  params[0][0] = q[1] / (3 * h[0])\n  params[0][1] = 0\n  params[0][2] = (params[1][3] - params[0][3]) / h[0] - q[1] * h[0] / 3\n  r[0] = 0\n  for (let i = 1; i < n; ++i) {\n    params[i][0] = (q[i + 1] - q[i]) / (3 * h[i])\n    params[i][1] = q[i]\n    params[i][2] = (q[i] + q[i - 1]) * h[i - 1] + params[i - 1][2]\n    params[i][3] = r[i - 1] * q[i - 1] + f[i] * q[i] + r[i] * q[i + 1]\n    params[i][3] = y[i] - mu * params[i][3] * sigma[i]\n  }\n  return params\n}\n\nclass SplineInterpolator {\n  constructor (xIn, yIn, lambda = 1) {\n    const indices = xIn.map((_, i) => i)\n    indices.sort((i, j) => xIn[i] - xIn[j])\n    const x = indices.map((i) => xIn[i])\n    const y = indices.map((i) => yIn[i])\n    const n = indices.length\n    const sigma = indices.map(() => 1)\n    this.n = n\n    this.x = x\n    this.y = y\n    this.params = smoothingSpline(x, y, sigma, lambda)\n  }\n\n  interpolate (v) {\n    if (v === this.x[this.n - 1]) {\n      return this.y[this.n - 1]\n    }\n    const i = Math.min(Math.max(0, bisectRight(this.x, v) - 1), this.n - 2)\n    const [a, b, c, d] = this.params[i]\n    v = v - this.x[i]\n    return a * v * v * v + b * v * v + c * v + d\n  }\n\n  max (step = 100) {\n    const xStart = this.x[0]\n    const xStop = this.x[this.n - 1]\n    const delta = (xStop - xStart) / step\n    let maxValue = -Infinity\n    for (let i = 0, x = xStart; i < step; ++i, x += delta) {\n      const y = this.interpolate(x)\n      if (y > maxValue) {\n        maxValue = y\n      }\n    }\n    return maxValue\n  }\n\n  min (step = 100) {\n    const xStart = this.x[0]\n    const xStop = this.x[this.n - 1]\n    const delta = (xStop - xStart) / step\n    let minValue = Infinity\n    for (let i = 0, x = xStart; i < step; ++i, x += delta) {\n      const y = this.interpolate(x)\n      if (y < minValue) {\n        minValue = y\n      }\n    }\n    return minValue\n  }\n\n  domain () {\n    return [this.x[0], this.x[this.x.length - 1]]\n  }\n\n  range () {\n    return [this.min(), this.max()]\n  }\n\n  curve (nInterval, domain = null) {\n    domain = domain || this.domain()\n    const delta = (domain[1] - domain[0]) / (nInterval - 1)\n    const vals = new Array(nInterval)\n    for (let i = 0; i < nInterval; ++i) {\n      const x = delta * i + domain[0]\n      vals[i] = [x, this.interpolate(x)]\n    }\n    return vals\n  }\n}\n\nmodule.exports = SplineInterpolator\n","/*\nAdapted from: https://github.com/compute-io/erfcinv/blob/aa116e23883839359e310ad41a7c42f72815fc1e/lib/number.js\n\nThe MIT License (MIT)\n\nCopyright (c) 2014-2015 The Compute.io Authors. All rights reserved.\n\nPermission is hereby granted, free of charge, to any person obtaining a copy\nof this software and associated documentation files (the \"Software\"), to deal\nin the Software without restriction, including without limitation the rights\nto use, copy, modify, merge, publish, distribute, sublicense, and/or sell\ncopies of the Software, and to permit persons to whom the Software is\nfurnished to do so, subject to the following conditions:\n\nThe above copyright notice and this permission notice shall be included in all\ncopies or substantial portions of the Software.\n\nTHE SOFTWARE IS PROVIDED \"AS IS\", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR\nIMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,\nFITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE\nAUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER\nLIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,\nOUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE\nSOFTWARE.\n\n\nBoost Software License - Version 1.0 - August 17th, 2003\n\nPermission is hereby granted, free of charge, to any person or organization obtaining a copy of the software and accompanying documentation covered by this license (the \"Software\") to use, reproduce, display, distribute, execute, and transmit the Software, and to prepare derivative works of the Software, and to permit third-parties to whom the Software is furnished to do so, all subject to the following:\n\nThe copyright notices in the Software and this entire statement, including the above license grant, this restriction and the following disclaimer, must be included in all copies of the Software, in whole or in part, and all derivative works of the Software, unless such copies or derivative works are solely in the form of machine-executable object code generated by a source language processor.\n\nTHE SOFTWARE IS PROVIDED \"AS IS\", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.\n*/\n// Coefficients for erfcinv on [0, 0.5]:\nconst Y1 = 8.91314744949340820313e-2;\nconst P1 = [\n    -5.38772965071242932965e-3, 8.22687874676915743155e-3,\n    2.19878681111168899165e-2, -3.65637971411762664006e-2,\n    -1.26926147662974029034e-2, 3.34806625409744615033e-2,\n    -8.36874819741736770379e-3, -5.08781949658280665617e-4,\n];\nconst Q1 = [\n    8.86216390456424707504e-4, -2.33393759374190016776e-3,\n    7.95283687341571680018e-2, -5.27396382340099713954e-2,\n    -7.1228902341542847553e-1, 6.62328840472002992063e-1, 1.56221558398423026363,\n    -1.56574558234175846809, -9.70005043303290640362e-1, 1,\n];\n// Coefficients for erfcinv for 0.5 > 1-x >= 0:\nconst Y2 = 2.249481201171875;\nconst P2 = [\n    -3.67192254707729348546, 2.11294655448340526258e1, 1.7445385985570866523e1,\n    -4.46382324441786960818e1, -1.88510648058714251895e1,\n    1.76447298408374015486e1, 8.37050328343119927838, 1.05264680699391713268e-1,\n    -2.02433508355938759655e-1,\n];\nconst Q2 = [\n    1.72114765761200282724, -2.26436933413139721736e1, 1.08268667355460159008e1,\n    4.85609213108739935468e1, -2.01432634680485188801e1,\n    -2.86608180499800029974e1, 3.9713437953343869095, 6.24264124854247537712, 1,\n];\n// Coefficients for erfcinv for sqrt( -log(1-x)):\nconst Y3 = 8.07220458984375e-1;\nconst P3 = [\n    -6.81149956853776992068e-10, 2.85225331782217055858e-8,\n    -6.79465575181126350155e-7, 2.14558995388805277169e-3,\n    2.90157910005329060432e-2, 1.42869534408157156766e-1,\n    3.37785538912035898924e-1, 3.87079738972604337464e-1,\n    1.17030156341995252019e-1, -1.63794047193317060787e-1,\n    -1.31102781679951906451e-1,\n];\nconst Q3 = [\n    1.105924229346489121e-2, 1.52264338295331783612e-1, 8.48854343457902036425e-1,\n    2.59301921623620271374, 4.77846592945843778382, 5.38168345707006855425,\n    3.46625407242567245975, 1,\n];\nconst Y4 = 9.3995571136474609375e-1;\nconst P4 = [\n    2.66339227425782031962e-12, -2.30404776911882601748e-10,\n    4.60469890584317994083e-6, 1.57544617424960554631e-4,\n    1.87123492819559223345e-3, 9.50804701325919603619e-3,\n    1.85573306514231072324e-2, -2.22426529213447927281e-3,\n    -3.50353787183177984712e-2,\n];\nconst Q4 = [\n    7.64675292302794483503e-5, 2.63861676657015992959e-3,\n    3.41589143670947727934e-2, 2.20091105764131249824e-1,\n    7.62059164553623404043e-1, 1.3653349817554063097, 1,\n];\nconst Y5 = 9.8362827301025390625e-1;\nconst P5 = [\n    9.9055709973310326855e-17, -2.81128735628831791805e-14,\n    4.62596163522878599135e-9, 4.49696789927706453732e-7,\n    1.49624783758342370182e-5, 2.09386317487588078668e-4,\n    1.05628862152492910091e-3, -1.12951438745580278863e-3,\n    -1.67431005076633737133e-2,\n];\nconst Q5 = [\n    2.82243172016108031869e-7, 2.75335474764726041141e-5,\n    9.64011807005165528527e-4, 1.60746087093676504695e-2,\n    1.38151865749083321638e-1, 5.91429344886417493481e-1, 1,\n];\n/**\n * Polyval.\n * @param c - Array of Number.\n * @param x - Number.\n * @returns Number.\n */\nfunction polyval(c, x) {\n    let p = 0;\n    for (const coef of c) {\n        p = p * x + coef;\n    }\n    return p;\n}\n/**\n * Calculates a rational approximation.\n * @private\n * @param x - Number.\n * @param v - Number.\n * @param P - Array of polynomial coefficients.\n * @param Q - Array of polynomial coefficients.\n * @param Y - Number.\n * @returns Rational approximation.\n */\nfunction calc(x, v, P, Q, Y) {\n    const s = x - v;\n    const r = polyval(P, s) / polyval(Q, s);\n    return Y * x + r * x;\n}\n/**\n * Evaluates the complementary inverse error function for an input value.\n * @private\n * @param x - Input value.\n * @returns Evaluated complementary inverse error function.\n */\nexport default function erfcinv(x) {\n    let sign = false;\n    let val;\n    let q;\n    let g;\n    let r;\n    // [1] Special cases...\n    // NaN:\n    if (Number.isNaN(x)) {\n        return Number.NaN;\n    }\n    // x not on the interval: [0,2]\n    if (x < 0 || x > 2) {\n        throw new RangeError(`erfcinv()::invalid input argument. Value must be on the interval [0,2]. Value: \\`${x}\\`.`);\n    }\n    if (x === 0) {\n        return Number.POSITIVE_INFINITY;\n    }\n    if (x === 2) {\n        return Number.NEGATIVE_INFINITY;\n    }\n    if (x === 1) {\n        return 0;\n    }\n    // [2] Get the sign and make use of `erfc` reflection formula: `erfc(-z)=2 - erfc(z)`...\n    if (x > 1) {\n        q = 2 - x;\n        x = 1 - q;\n        sign = true;\n    }\n    else {\n        q = x;\n        x = 1 - x;\n    }\n    // [3] |x| <= 0.5\n    if (x <= 0.5) {\n        g = x * (x + 10);\n        r = polyval(P1, x) / polyval(Q1, x);\n        val = g * Y1 + g * r;\n        return sign ? -val : val;\n    }\n    // [4] 1-|x| >= 0.25\n    if (q >= 0.25) {\n        g = Math.sqrt(-2 * Math.log(q));\n        q = q - 0.25;\n        r = polyval(P2, q) / polyval(Q2, q);\n        val = g / (Y2 + r);\n        return sign ? -val : val;\n    }\n    q = Math.sqrt(-Math.log(q));\n    // [5] q < 3\n    if (q < 3) {\n        return calc(q, 1.125, P3, Q3, Y3);\n    }\n    // [6] q < 6\n    if (q < 6) {\n        return calc(q, 3, P4, Q4, Y4);\n    }\n    // Note that the smallest number in JavaScript is 5e-324. Math.sqrt( -Math.log( 5e-324 ) ) ~27.2844\n    return calc(q, 6, P5, Q5, Y5);\n    // Note that in the boost library, they are able to go to much smaller values, as 128 bit long doubles support ~1e-5000; something which JavaScript does not natively support.\n}\n//# sourceMappingURL=erfcinv.js.map","/**\n * RayleighCdf.\n * @param x - data\n * @param sigma - standard deviation\n * @returns - rayleigh cdf\n */\nexport default function rayleighCdf(x, sigma = 1) {\n    if (x < 0) {\n        return 0;\n    }\n    return -Math.expm1(-(x ** 2) / (2 * sigma ** 2));\n}\n//# sourceMappingURL=rayleighCdf.js.map","// @ts-expect-error Missing types.\nimport SplineInterpolator from 'spline-interpolator';\nimport { createFromToArray } from '../utils';\nimport erfcinv from './utils/erfcinv';\nimport rayleighCdf from './utils/rayleighCdf';\nimport { xCheck } from './xCheck';\n/**\n * Determine noise level by san plot methodology (https://doi.org/10.1002/mrc.4882)\n * @param array - real or magnitude spectra data.\n * @param options - options\n * @returns noise level\n */\nexport function xNoiseSanPlot(array, options = {}) {\n    const { mask, cutOff, refine = true, magnitudeMode = false, scaleFactor = 1, factorStd = 5, fixOffset = true, } = options;\n    let input;\n    if (Array.isArray(mask) && mask.length === array.length) {\n        input = new Float64Array(array.filter((_e, i) => !mask[i]));\n    }\n    else {\n        input = new Float64Array(array);\n    }\n    xCheck(input);\n    if (scaleFactor > 1) {\n        for (let i = 0; i < input.length; i++) {\n            input[i] *= scaleFactor;\n        }\n    }\n    input = input.sort().reverse();\n    if (fixOffset && !magnitudeMode) {\n        const medianIndex = Math.floor(input.length / 2);\n        const median = 0.5 * (input[medianIndex] + input[medianIndex + 1]);\n        for (let i = 0; i < input.length; i++) {\n            input[i] -= median;\n        }\n    }\n    const firstNegativeValueIndex = input.at(-1) >= 0\n        ? input.length\n        : input.findIndex((e) => e < 0);\n    let lastPositiveValueIndex = firstNegativeValueIndex - 1;\n    for (let i = lastPositiveValueIndex; i >= 0; i--) {\n        if (input[i] > 0) {\n            lastPositiveValueIndex = i;\n            break;\n        }\n    }\n    const signPositive = input.slice(0, lastPositiveValueIndex + 1);\n    const signNegative = input.slice(firstNegativeValueIndex);\n    const cutOffDist = cutOff || determineCutOff(signPositive, { magnitudeMode });\n    const pIndex = Math.floor(signPositive.length * cutOffDist);\n    const initialNoiseLevelPositive = signPositive[pIndex];\n    const skyPoint = signPositive[0];\n    let initialNoiseLevelNegative;\n    if (signNegative.length > 0) {\n        const nIndex = Math.floor(signNegative.length * (1 - cutOffDist));\n        initialNoiseLevelNegative = -1 * signNegative[nIndex];\n    }\n    else {\n        initialNoiseLevelNegative = 0;\n    }\n    let noiseLevelPositive = initialNoiseLevelPositive;\n    let noiseLevelNegative = initialNoiseLevelNegative;\n    let cloneSignPositive = signPositive.slice();\n    let cloneSignNegative = signNegative.slice();\n    let cutOffSignalsIndexPlus = 0;\n    let cutOffSignalsIndexNeg = 2;\n    if (refine) {\n        let cutOffSignals = noiseLevelPositive * factorStd;\n        cutOffSignalsIndexPlus = signPositive.findIndex((e) => e < cutOffSignals);\n        if (cutOffSignalsIndexPlus > -1) {\n            cloneSignPositive = signPositive.slice(cutOffSignalsIndexPlus);\n            noiseLevelPositive =\n                cloneSignPositive[Math.floor(cloneSignPositive.length * cutOffDist)];\n        }\n        cutOffSignals = noiseLevelNegative * factorStd;\n        cutOffSignalsIndexNeg = signNegative.findIndex((e) => e < cutOffSignals);\n        if (cutOffSignalsIndexNeg > -1) {\n            cloneSignNegative = signNegative.slice(cutOffSignalsIndexNeg);\n            noiseLevelNegative =\n                cloneSignPositive[Math.floor(cloneSignNegative.length * (1 - cutOffDist))];\n        }\n    }\n    const correctionFactor = -simpleNormInvNumber(cutOffDist / 2, {\n        magnitudeMode,\n    });\n    let effectiveCutOffDist, refinedCorrectionFactor;\n    if (refine && cutOffSignalsIndexPlus > -1) {\n        effectiveCutOffDist =\n            (cutOffDist * cloneSignPositive.length + cutOffSignalsIndexPlus) /\n                (cloneSignPositive.length + cutOffSignalsIndexPlus);\n        refinedCorrectionFactor =\n            -1 * simpleNormInvNumber(effectiveCutOffDist / 2, { magnitudeMode });\n        noiseLevelPositive /= refinedCorrectionFactor;\n        if (cutOffSignalsIndexNeg > -1) {\n            effectiveCutOffDist =\n                (cutOffDist * cloneSignNegative.length + cutOffSignalsIndexNeg) /\n                    (cloneSignNegative.length + cutOffSignalsIndexNeg);\n            refinedCorrectionFactor =\n                -1 * simpleNormInvNumber(effectiveCutOffDist / 2, { magnitudeMode });\n            if (noiseLevelNegative !== 0) {\n                noiseLevelNegative /= refinedCorrectionFactor;\n            }\n        }\n    }\n    else {\n        noiseLevelPositive /= correctionFactor;\n        noiseLevelNegative /= correctionFactor;\n    }\n    return {\n        positive: noiseLevelPositive,\n        negative: noiseLevelNegative,\n        snr: skyPoint / noiseLevelPositive,\n        sanplot: generateSanPlot(input, {\n            fromTo: {\n                positive: { from: 0, to: lastPositiveValueIndex },\n                negative: { from: firstNegativeValueIndex, to: input.length },\n            },\n        }),\n    };\n}\n/**\n * DetermineCutOff.\n * @param signPositive - Array of numbers.\n * @param [options = {}] - Options.\n * @param [options.mask] - Boolean array to filter data, if the i-th element is true then the i-th element of the distribution will be ignored.\n * @param [options.scaleFactor=1] - Factor to scale the data input[i]*=scaleFactor.\n * @param [options.cutOff] - Percent of positive signal distribution where the noise level will be determined, if it is not defined the program calculate it.\n * @param [options.factorStd=5] - Factor times std to determine what will be marked as signals.\n * @param [options.refine=true] - If true the noise level will be recalculated get out the signals using factorStd.\n * @param [options.fixOffset=true] - If the baseline is correct, the midpoint of distribution should be zero. If true, the distribution will be centered.\n * @param [options.logBaseY=2] - Log scale to apply in the intensity axis in order to avoid big numbers.\n * @param options.magnitudeMode -\n * @param options.considerList -\n * @param options.considerList.from -\n * @param options.considerList.step -\n * @param options.considerList.to -\n * @param options.fromTo -\n * @returns Result.\n */\nfunction determineCutOff(signPositive, options = {}) {\n    const { magnitudeMode = false, considerList = { from: 0.5, step: 0.1, to: 0.9 }, } = options;\n    //generate a list of values for\n    const cutOff = [];\n    const indexMax = signPositive.length - 1;\n    for (let i = 0.01; i <= 0.99; i += 0.01) {\n        const index = Math.round(indexMax * i);\n        const value = -signPositive[index] / simpleNormInvNumber(i / 2, { magnitudeMode });\n        cutOff.push([i, value]);\n    }\n    let minKi = Number.MAX_SAFE_INTEGER;\n    const { from, to, step } = considerList;\n    const delta = step / 2;\n    let whereToCutStat = 0.5;\n    for (let i = from; i <= to; i += step) {\n        const floor = i - delta;\n        const top = i + delta;\n        const elementsOfCutOff = cutOff.filter((e) => e[0] < top && e[0] > floor);\n        const averageValue = elementsOfCutOff.reduce((a, b) => a + Math.abs(b[1]), 0);\n        let kiSqrt = 0;\n        for (const element of elementsOfCutOff) {\n            kiSqrt += (element[1] - averageValue) ** 2;\n        }\n        if (kiSqrt < minKi) {\n            minKi = kiSqrt;\n            whereToCutStat = i;\n        }\n    }\n    return whereToCutStat;\n}\nfunction simpleNormInvNumber(data, options) {\n    return simpleNormInv([data], options)[0];\n}\n/**\n * SimpleNormInvs.\n * @param data - Data array.\n * @param options\n */\nfunction simpleNormInv(data, options = {}) {\n    const { magnitudeMode = false } = options;\n    const from = 0;\n    const to = 2;\n    const step = 0.01;\n    const xTraining = createArray(from, to, step);\n    const result = new Float64Array(data.length);\n    const yTraining = new Float64Array(xTraining.length);\n    if (magnitudeMode) {\n        const factor = 1;\n        for (let i = 0; i < yTraining.length; i++) {\n            const finalInput = xTraining[i] * factor;\n            yTraining[i] = 1 - rayleighCdf(finalInput);\n        }\n        const interp = new SplineInterpolator(xTraining, yTraining);\n        for (let i = 0; i < result.length; i++) {\n            const yValue = 2 * data[i];\n            result[i] = -1 * interp.interpolate(yValue);\n        }\n    }\n    else {\n        for (let i = 0; i < result.length; i++) {\n            result[i] = -1 * Math.SQRT2 * erfcinv(2 * data[i]);\n        }\n    }\n    return result;\n}\n/**\n * CreateArray.\n * @param from - From.\n * @param to - To.\n * @param step - Step.\n * @returns Array of results.\n */\nfunction createArray(from, to, step) {\n    const length = Math.abs((from - to) / step + 1);\n    const result = [];\n    for (let i = 0; i < length; i++) {\n        result.push(from + i * step);\n    }\n    return result;\n}\n/**\n * GenerateSanPlot.\n * @param array - Array.\n * @param [options = {}] - Options.\n * @param [options.mask] - Boolean array to filter data, if the i-th element is true then the i-th element of the distribution will be ignored.\n * @param [options.scaleFactor=1] - Factor to scale the data input[i]*=scaleFactor.\n * @param [options.cutOff] - Percent of positive signal distribution where the noise level will be determined, if it is not defined the program calculate it.\n * @param [options.factorStd=5] - Factor times std to determine what will be marked as signals.\n * @param [options.refine=true] - If true the noise level will be recalculated get out the signals using factorStd.\n * @param [options.fixOffset=true] - If the baseline is correct, the midpoint of distribution should be zero. If true, the distribution will be centered.\n * @param [options.logBaseY=2] - Log scale to apply in the intensity axis in order to avoid big numbers.\n * @param options.magnitudeMode -\n * @param options.considerList -\n * @param options.considerList.from -\n * @param options.considerList.step -\n * @param options.considerList.to -\n * @param options.fromTo -\n * @returns Results.\n */\nfunction generateSanPlot(array, options = {}) {\n    const { fromTo, logBaseY = 2 } = options;\n    const sanplot = {};\n    for (const key in fromTo) {\n        const { from, to } = fromTo[key];\n        sanplot[key] =\n            from !== to\n                ? scale(array.slice(from, to), {\n                    logBaseY,\n                })\n                : { x: [], y: [] };\n        if (key === 'negative') {\n            sanplot[key].y.reverse();\n        }\n    }\n    return sanplot;\n}\n/**\n * Scale.\n * @param array - Array.\n * @param [options = {}] - Options.\n * @param [options.mask] - Boolean array to filter data, if the i-th element is true then the i-th element of the distribution will be ignored.\n * @param [options.scaleFactor=1] - Factor to scale the data input[i]*=scaleFactor.\n * @param [options.cutOff] - Percent of positive signal distribution where the noise level will be determined, if it is not defined the program calculate it.\n * @param [options.factorStd=5] - Factor times std to determine what will be marked as signals.\n * @param [options.refine=true] - If true the noise level will be recalculated get out the signals using factorStd.\n * @param [options.fixOffset=true] - If the baseline is correct, the midpoint of distribution should be zero. If true, the distribution will be centered.\n * @param [options.logBaseY=2] - Log scale to apply in the intensity axis in order to avoid big numbers.\n * @param options.magnitudeMode -\n * @param options.considerList -\n * @param options.considerList.from -\n * @param options.considerList.step -\n * @param options.considerList.to -\n * @param options.fromTo -\n * @returns Results.\n */\nfunction scale(array, options = {}) {\n    const { log10, abs } = Math;\n    const { logBaseY } = options;\n    if (logBaseY) {\n        array = array.slice();\n        const logOfBase = log10(logBaseY);\n        for (let i = 0; i < array.length; i++) {\n            array[i] = log10(abs(array[i])) / logOfBase;\n        }\n    }\n    const xAxis = createFromToArray({\n        from: 0,\n        to: array.length - 1,\n        length: array.length,\n    });\n    return { x: xAxis, y: array };\n}\n//# sourceMappingURL=xNoiseSanPlot.js.map","import { xMedianAbsoluteDeviation } from './xMedianAbsoluteDeviation';\n/**\n * Determine noise level using MAD https://en.wikipedia.org/wiki/Median_absolute_deviation\n * Constant to convert mad to sd calculated using https://www.wolframalpha.com/input?i=sqrt%282%29+inverse+erf%280.5%29\n * This assumes a gaussian distribution of the noise\n * @param array\n * @returns noise level corresponding to one standard deviation\n */\nexport function xNoiseStandardDeviation(array) {\n    const { mad, median } = xMedianAbsoluteDeviation(array);\n    return { sd: mad / 0.6744897501960817, mad, median };\n}\n//# sourceMappingURL=xNoiseStandardDeviation.js.map","import { xCheck } from './xCheck';\nimport { xGetFromToIndex } from './xGetFromToIndex';\n/**\n * Calculate the sum of the values\n * @param array - Object that contains property x (an ordered increasing array) and y (an array).\n * @param options - Options.\n * @returns XSum value on the specified range.\n */\nexport function xSum(array, options = {}) {\n    xCheck(array);\n    const { fromIndex, toIndex } = xGetFromToIndex(array, options);\n    let sumValue = array[fromIndex];\n    for (let i = fromIndex + 1; i <= toIndex; i++) {\n        sumValue += array[i];\n    }\n    return sumValue;\n}\n//# sourceMappingURL=xSum.js.map","import { getOutputArray } from './getOutputArray';\nimport { xCheck } from './xCheck';\nimport { xMaxValue } from './xMaxValue';\nimport { xSum } from './xSum';\n/**\n * Divides the data with either the sum, the absolute sum or the maximum of the data\n * @param input - Array containing values\n * @param options - options\n * @returns - normalized data\n */\nexport function xNormed(input, options = {}) {\n    const { algorithm = 'absolute', value = 1 } = options;\n    xCheck(input);\n    const output = getOutputArray(options.output, input.length);\n    if (input.length === 0) {\n        throw new Error('input must not be empty');\n    }\n    switch (algorithm) {\n        case 'absolute': {\n            const absoluteSumValue = absoluteSum(input) / value;\n            if (absoluteSumValue === 0) {\n                throw new Error('trying to divide by 0');\n            }\n            for (let i = 0; i < input.length; i++) {\n                output[i] = input[i] / absoluteSumValue;\n            }\n            return output;\n        }\n        case 'max': {\n            const currentMaxValue = xMaxValue(input);\n            if (currentMaxValue === 0) {\n                throw new Error('trying to divide by 0');\n            }\n            const factor = value / currentMaxValue;\n            for (let i = 0; i < input.length; i++) {\n                output[i] = input[i] * factor;\n            }\n            return output;\n        }\n        case 'sum': {\n            const sumFactor = xSum(input) / value;\n            if (sumFactor === 0) {\n                throw new Error('trying to divide by 0');\n            }\n            for (let i = 0; i < input.length; i++) {\n                output[i] = input[i] / sumFactor;\n            }\n            return output;\n        }\n        default:\n            throw new Error(`unknown algorithm: ${String(algorithm)}`);\n    }\n}\nfunction absoluteSum(input) {\n    let sumValue = 0;\n    for (let i = 0; i < input.length; i++) {\n        sumValue += Math.abs(input[i]);\n    }\n    return sumValue;\n}\n//# sourceMappingURL=xNormed.js.map","import { isAnyArray } from 'is-any-array';\n/**\n * Verify that `data` is an object of x,y arrays.\n * Throws an error if it's not.\n * @param data\n * @param options\n * @param options.minLength\n */\nexport function xyCheck(data, options = {}) {\n    const { minLength } = options;\n    if (data === null ||\n        typeof data !== 'object' ||\n        // @ts-expect-error Typechecking\n        !isAnyArray(data.x) ||\n        // @ts-expect-error Typechecking\n        !isAnyArray(data.y)) {\n        throw new Error('data must be an object of x and y arrays');\n    }\n    // @ts-expect-error Typechecking\n    if (data.x.length !== data.y.length) {\n        throw new Error('the x and y arrays must have the same length');\n    }\n    // @ts-expect-error Typechecking\n    if (minLength && data.x.length < minLength) {\n        throw new Error(`data.x must have a length of at least ${minLength}`);\n    }\n}\n//# sourceMappingURL=xyCheck.js.map","import { xGetFromToIndex } from '../x';\nimport { xyCheck } from './xyCheck';\n/**\n * Calculate integration\n * @param data - Object that contains property x (an ordered increasing array) and y (an array)\n * @param options - Options\n * @returns - xyIntegration value on the specified range\n */\nexport function xyIntegration(data, options = {}) {\n    xyCheck(data, { minLength: 1 });\n    const { x, y } = data;\n    if (x.length === 1)\n        return 0;\n    const { fromIndex, toIndex } = xGetFromToIndex(x, options);\n    let currentxyIntegration = 0;\n    for (let i = fromIndex; i < toIndex; i++) {\n        currentxyIntegration += ((x[i + 1] - x[i]) * (y[i + 1] + y[i])) / 2;\n    }\n    return currentxyIntegration;\n}\n//# sourceMappingURL=xyIntegration.js.map","import { xIsMonotonic } from '../x';\n/**\n * This function performs a quick sort of the x array while transforming the y array to preserve the coordinates.\n * @param data - Object that contains property x (Array) and y (Array)\n */\nexport function xySortX(data) {\n    const { x, y } = data;\n    if (xIsMonotonic(x) && x.length > 1) {\n        if (x[0] < x[1]) {\n            return {\n                x: Float64Array.from(x),\n                y: Float64Array.from(y),\n            };\n        }\n        else {\n            return {\n                x: Float64Array.from(x).reverse(),\n                y: Float64Array.from(y).reverse(),\n            };\n        }\n    }\n    const xyObject = Array.from(x, (val, index) => ({\n        x: val,\n        y: y[index],\n    })).sort((a, b) => a.x - b.x);\n    const response = {\n        x: new Float64Array(x.length),\n        y: new Float64Array(y.length),\n    };\n    for (let i = 0; i < x.length; i++) {\n        response.x[i] = xyObject[i].x;\n        response.y[i] = xyObject[i].y;\n    }\n    return response;\n}\n//# sourceMappingURL=xySortX.js.map","import { xyCheck } from './xyCheck';\nimport { xySortX } from './xySortX';\n/**\n * Ensure x values are unique\n * @param data - Object that contains property x (Array) and y (Array)\n * @param options - Object containing a property algorithm (can be 'sum' or 'average', the latter being the default value), and a property isSorted (boolean indicating if the x-array is sorted).\n */\nexport function xyUniqueX(data, options = {}) {\n    xyCheck(data);\n    if (data.x.length === 0) {\n        return { x: [], y: [] };\n    }\n    const { algorithm = 'average', isSorted = true } = options;\n    if (!isSorted) {\n        data = xySortX(data);\n    }\n    switch (algorithm) {\n        case 'average':\n            return average(data);\n        case 'sum':\n            return sum(data);\n        default:\n            throw new Error(`unknown algorithm: ${String(algorithm)}`);\n    }\n}\n/**\n * Average.\n * @param data - Input.\n * @returns Result.\n */\nfunction average(data) {\n    const x = [];\n    const y = [];\n    let cumulativeY = data.y[0];\n    let divider = 1;\n    for (let i = 1; i < data.x.length; i++) {\n        if (!(data.x[i] === data.x[i - 1])) {\n            x.push(data.x[i - 1]);\n            y.push(cumulativeY / divider);\n            cumulativeY = 0;\n            divider = 0;\n        }\n        cumulativeY += data.y[i];\n        divider++;\n    }\n    x.push(data.x.at(-1));\n    y.push(cumulativeY / divider);\n    return { x, y };\n}\n/**\n * Sum.\n * @param data - Input.\n * @returns Result.\n */\nfunction sum(data) {\n    const x = [];\n    const y = [];\n    let cumulativeY = data.y[0];\n    for (let i = 1; i < data.x.length; i++) {\n        if (!(data.x[i] === data.x[i - 1])) {\n            x.push(data.x[i - 1]);\n            y.push(cumulativeY);\n            cumulativeY = 0;\n        }\n        cumulativeY += data.y[i];\n    }\n    x.push(data.x.at(-1));\n    y.push(cumulativeY);\n    return { x, y };\n}\n//# sourceMappingURL=xyUniqueX.js.map","/**\n * Merge DataXY\n * We have an array of DataXY and the goal is to merge all the values for which the deltaX is small or equal to delta.\n * X values are weighted average\n * @param data - data\n * @param options - Options\n */\nexport function xyArrayWeightedMerge(data, options = {}) {\n    let { delta = 1 } = options;\n    if (typeof delta === 'number') {\n        const deltaNumber = delta;\n        delta = () => deltaNumber;\n    }\n    data = data.filter((spectrum) => spectrum.x.length > 0);\n    if (data.length === 0)\n        return { x: [], y: [] };\n    const x = [];\n    const y = [];\n    const positions = new Array(data.length).fill(0);\n    const point = { x: 0, y: 0 };\n    nextValue(data, positions, point);\n    const slot = {\n        maxX: point.x + delta(point.x),\n        sumY: point.y,\n        sumXY: point.y * point.x,\n    };\n    while (data.length > 0) {\n        nextValue(data, positions, point);\n        const sameSlot = point.x <= slot.maxX;\n        if (!sameSlot) {\n            if (slot.sumY > 0) {\n                x.push(slot.sumXY / slot.sumY);\n                y.push(slot.sumY);\n            }\n            slot.sumY = 0;\n            slot.sumXY = 0;\n        }\n        slot.sumY += point.y;\n        slot.sumXY += point.x * point.y;\n        slot.maxX = point.x + delta(point.x);\n        if (data.length === 0 && slot.sumY > 0) {\n            x.push(slot.sumXY / slot.sumY);\n            y.push(slot.sumY);\n        }\n    }\n    return { x, y };\n}\n/**\n * NextValue.\n * @param data - data.\n * @param positions - Positions array.\n * @param point - Point.\n */\nfunction nextValue(data, positions, point) {\n    let minIndex = 0;\n    let minX = data[0].x[positions[0]];\n    for (let i = 1; i < data.length; i++) {\n        const currentX = data[i].x[positions[i]];\n        if (currentX < minX) {\n            minX = currentX;\n            minIndex = i;\n        }\n    }\n    point.x = minX;\n    point.y = data[minIndex].y[positions[minIndex]];\n    positions[minIndex]++;\n    if (positions[minIndex] === data[minIndex].x.length) {\n        positions.splice(minIndex, 1);\n        data.splice(minIndex, 1);\n    }\n}\n//# sourceMappingURL=xyArrayWeightedMerge.js.map","/**\n * xyObjectSlotX\n * @param points - Array of growing points {x,y}.\n * @param options - Options.\n */\nexport function xyObjectSlotX(points, options = {}) {\n    const { slotWidth = 1 } = options;\n    const halfSlot = slotWidth / 2;\n    // when we join we will use the center of mass\n    const result = [];\n    let current = {\n        x: Number.NEGATIVE_INFINITY,\n        y: 0,\n    };\n    for (const point of points) {\n        const slot = point.x - ((point.x + halfSlot) % slotWidth) + halfSlot;\n        if (Math.abs(current.x - slot) > Number.EPSILON) {\n            current = {\n                x: slot,\n                y: 0,\n            };\n            result.push(current);\n        }\n        current.y += point.y;\n    }\n    return result;\n}\n//# sourceMappingURL=xyObjectSlotX.js.map","import { isAnyArray } from 'is-any-array';\n\nfunction sum(input) {\n  if (!isAnyArray(input)) {\n    throw new TypeError('input must be an array');\n  }\n\n  if (input.length === 0) {\n    throw new TypeError('input must not be empty');\n  }\n\n  var sumValue = 0;\n\n  for (var i = 0; i < input.length; i++) {\n    sumValue += input[i];\n  }\n\n  return sumValue;\n}\n\nexport { sum as default };\n","import sum from 'ml-array-sum';\n\nfunction mean(input) {\n  return sum(input) / input.length;\n}\n\nexport { mean as default };\n","/**\n * Class allowing to manage a Serie\n */\nexport class Series {\n  constructor(array, dimension, options = {}) {\n    let { meta = {} } = options;\n    if (new.target === Series) {\n      throw new Error('You need to create either a 1D or 2D series');\n    }\n    this.data = array;\n    this.dimension = dimension;\n    this.meta = meta;\n    this.name = '';\n  }\n\n  getData() {\n    return this.data;\n  }\n\n  is1D() {\n    return this.dimension === 1;\n  }\n\n  is2D() {\n    return this.dimension === 2;\n  }\n\n  toJSON() {\n    return {\n      data: this.data,\n      meta: this.meta,\n    };\n  }\n\n  /**\n   * Specify an array of index to keep\n   * @param {Array} array\n   */\n  keep(array) {\n    const newData = [];\n    for (let i of array) {\n      newData.push(this.data[i]);\n    }\n    this.data = newData;\n    return this;\n  }\n}\n","import { Series } from './Series';\n\n/**\n * Class allowing to manage a Serie\n */\nexport class Series1D extends Series {\n  constructor(array) {\n    super(array, 1);\n  }\n}\n","import { Series } from './Series';\n\n/**\n * Class allowing to manage a 2D Serie\n */\nexport class Series2D extends Series {\n  constructor(array) {\n    super(array, 2);\n  }\n}\n","import { isAnyArray } from 'is-any-array';\n\nimport { Series1D } from './Series1D';\nimport { Series2D } from './Series2D';\n\nexport function seriesFromArray(array) {\n  // need to check if it is a 1D or 2D array (or 3D ?)\n  if (!isAnyArray(array)) {\n    throw new TypeError(\n      'seriesFromArray requires as parameter an array of numbers or array',\n    );\n  }\n\n  if (array.length === 0 || typeof array[0] === 'number') {\n    return new Series1D(array);\n  }\n\n  if (!isAnyArray(array[0])) {\n    throw new TypeError(\n      'seriesFromArray requires as parameter an array of numbers or array',\n    );\n  }\n\n  return new Series2D(array);\n}\n","import arrayMean from 'ml-array-mean';\n\nimport { seriesFromArray } from '../seriesFromArray';\n\nexport function meanFilter(chromatogram, seriesName, options = {}) {\n  const { factor = 2 } = options;\n\n  let series = chromatogram.getSeries(seriesName);\n  let filtered = [];\n  for (let i = 0; i < series.data.length; i++) {\n    filtered.push(applyFilter(series.data[i], factor));\n  }\n\n  return seriesFromArray(filtered);\n}\n\nfunction applyFilter(series, factor) {\n  let filtered = [[], []];\n  if (series[1].length === 0) return filtered;\n  const meanIntensity = factor * arrayMean(series[1]);\n  for (let i = 0; i < series[0].length; i++) {\n    if (series[1][i] > meanIntensity) {\n      filtered[0].push(series[0][i]);\n      filtered[1].push(series[1][i]);\n    }\n  }\n  return filtered;\n}\n","import arrayMax from 'ml-array-max';\n\nimport { seriesFromArray } from '../seriesFromArray';\n\nexport function percentageFilter(chromatogram, seriesName, options = {}) {\n  const { percentage = 0.1 } = options;\n\n  let series = chromatogram.getSeries(seriesName);\n  let filtered = [];\n\n  for (let i = 0; i < series.data.length; i++) {\n    filtered.push(applyFilter(series.data[i], percentage));\n  }\n\n  return seriesFromArray(filtered);\n}\n\nfunction applyFilter(series, percentage) {\n  let basePeak;\n  try {\n    basePeak = arrayMax(series[1]);\n  } catch {\n    basePeak = 0;\n  }\n  let filtered = [[], []];\n  for (let i = 0; i < series[0].length; i++) {\n    if (series[1][i] > percentage * basePeak) {\n      filtered[0].push(series[0][i]);\n      filtered[1].push(series[1][i]);\n    }\n  }\n  return filtered;\n}\n","\"use strict\";\n/**\n * Define static variable corresponding to the various Kinds of a molecular formula part.\n */\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.Kind = void 0;\nexports.Kind = {\n    BEGIN: 'begin',\n    ATOM: 'atom',\n    MULTIPLIER_RANGE: 'multiplierRange',\n    ISOTOPE: 'isotope',\n    ISOTOPE_RATIO: 'isotopeRatio',\n    CHARGE: 'charge',\n    SALT: 'salt',\n    OPENING_PARENTHESIS: 'openingParenthesis',\n    CLOSING_PARENTHESIS: 'closingParenthesis',\n    PRE_MULTIPLIER: 'preMultiplier',\n    MULTIPLIER: 'multiplier',\n    TEXT: 'text',\n    ANCHOR: 'anchor',\n    COMMENT: 'comment',\n};\n//# sourceMappingURL=Kind.js.map","\"use strict\";\n/**\n * Parse a string to extract the charge.\n * The charge may be in the form --, +++, +3, -2, 4+, 2-\n * @param {*} charge\n */\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.parseCharge = parseCharge;\nfunction parseCharge(charge) {\n    charge = charge.replaceAll(/[()]/g, '');\n    let chargeNumber = 0;\n    if (charge.match(/^[+-]+$/)) {\n        for (let i = 0; i < charge.length; i++) {\n            if (charge.charAt(i) === '+')\n                chargeNumber++;\n            else\n                chargeNumber--;\n        }\n    }\n    else if (charge.match(/^\\d+[+-]$/)) {\n        chargeNumber = Number(\n        // eslint-disable-next-line unicorn/prefer-at\n        charge.charAt(charge.length - 1) + charge.slice(0, -1));\n    }\n    else {\n        chargeNumber = Number(charge);\n    }\n    return chargeNumber;\n}\n//# sourceMappingURL=parseCharge.js.map","\"use strict\";\n/* eslint-disable unicorn/prefer-code-point */\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.parse = parse;\nconst Kind_1 = require(\"./Kind\");\nconst parseCharge_1 = require(\"./util/parseCharge\");\n/**\n * Parse a mf to an array of kind / value\n * @param {String} mf\n */\nfunction parse(mf) {\n    return new MFParser().parse(mf);\n}\nclass MFParser {\n    parse(mf = '') {\n        this.mf = mf;\n        this.i = 0;\n        this.result = [];\n        let lastKind = Kind_1.Kind.BEGIN;\n        while (this.i < mf.length) {\n            if (this.result.length > 0 && this.result.at(-1).kind !== Kind_1.Kind.TEXT) {\n                lastKind = this.result.at(-1).kind;\n            }\n            let char = mf.charAt(this.i);\n            let ascii = mf.charCodeAt(this.i);\n            let nextAscii = 0;\n            if (this.i + 1 < mf.length)\n                nextAscii = mf.charCodeAt(this.i + 1);\n            if ((ascii > 47 && ascii < 58) ||\n                (char === '-' && nextAscii > 47 && nextAscii < 58)) {\n                // a number\n                let value = this.getNumber(ascii);\n                if (lastKind === Kind_1.Kind.SALT ||\n                    lastKind === Kind_1.Kind.BEGIN ||\n                    lastKind === Kind_1.Kind.OPENING_PARENTHESIS) {\n                    if (value.to) {\n                        throw new MFError(this.mf, this.i, 'Premultiplier may not contain a -');\n                    }\n                    this.result.push({ kind: Kind_1.Kind.PRE_MULTIPLIER, value: value.from });\n                }\n                else if (lastKind === Kind_1.Kind.ANCHOR) {\n                    if (value.to) {\n                        throw new MFError(this.mf, this.i, 'Anchor ID may not contain -');\n                    }\n                    this.result.at(-1).value = value.from;\n                }\n                else if (value.to) {\n                    this.result.push({\n                        kind: Kind_1.Kind.MULTIPLIER_RANGE,\n                        value: {\n                            from: Math.min(value.from, value.to),\n                            to: Math.max(value.from, value.to),\n                        },\n                    });\n                }\n                else {\n                    this.result.push({ kind: Kind_1.Kind.MULTIPLIER, value: value.from });\n                }\n                continue;\n            }\n            else if (char === '.') {\n                // a point\n                this.result.push({ kind: Kind_1.Kind.SALT, value: char });\n                // it is not in a number otherwise it would have been taken before\n                // it must be in a salt\n            }\n            else if (char === '#') {\n                // an anchor\n                this.result.push({ kind: Kind_1.Kind.ANCHOR, value: 0 });\n                // it is not in a number otherwise it would have been taken before\n                // it must be in a salt\n            }\n            else if (ascii > 64 && ascii < 91) {\n                // an uppercase = new atom\n                let value = this.getAtom(ascii);\n                this.result.push({ kind: Kind_1.Kind.ATOM, value });\n                continue;\n            }\n            else if (ascii > 96 && ascii < 123) {\n                // a lowercase\n                throw new MFError(this.mf, this.i, 'found a lowercase not following an uppercase');\n            }\n            else if (char === '(') {\n                let charge = this.getParenthesisCharge(ascii);\n                if (charge) {\n                    this.result.push({ kind: Kind_1.Kind.CHARGE, value: charge });\n                }\n                else {\n                    this.result.push({ kind: Kind_1.Kind.OPENING_PARENTHESIS, value: '(' });\n                }\n            }\n            else if (char === ')') {\n                this.result.push({ kind: Kind_1.Kind.CLOSING_PARENTHESIS, value: ')' });\n            }\n            else if (char === '[') {\n                // defines an isotope\n                let isotope = this.getIsotope(ascii);\n                this.result.push({ kind: Kind_1.Kind.ISOTOPE, value: isotope });\n            }\n            else if (char === ']') {\n                throw new MFError(this.mf, this.i, 'should never meet an closing bracket not in isotopes');\n            }\n            else if (char === '{') {\n                // can define an exotic isotopic ratio or mixtures of groups\n                let isotopeRatio = this.getCurlyBracketIsotopeRatio(ascii);\n                if (lastKind === Kind_1.Kind.ATOM) {\n                    let lastResult = this.result.at(-1);\n                    lastResult.kind = Kind_1.Kind.ISOTOPE_RATIO;\n                    lastResult.value = {\n                        atom: lastResult.value,\n                        ratio: isotopeRatio,\n                    };\n                }\n                else {\n                    throw new MFError(this.mf, this.i, 'isotopic composition has to follow an atom');\n                }\n            }\n            else if (char === '}') {\n                throw new MFError(this.mf, this.i, 'found a unexpected closing curly bracket');\n            }\n            else if (char === '+') {\n                // charge not in parenthesis\n                let charge = this.getNonParenthesisCharge(ascii);\n                this.result.push({ kind: Kind_1.Kind.CHARGE, value: charge });\n            }\n            else if (char === '-') {\n                // charge not in parenthesis\n                let charge = this.getNonParenthesisCharge(ascii);\n                this.result.push({ kind: Kind_1.Kind.CHARGE, value: charge });\n            }\n            else if (char === '$') {\n                // it is a comment after\n                this.result.push({\n                    kind: Kind_1.Kind.COMMENT,\n                    value: this.mf.slice(this.i + 1),\n                });\n                break;\n            }\n            else {\n                this.result.push({ kind: Kind_1.Kind.TEXT, value: char });\n            }\n            this.i++;\n        }\n        this.checkParenthesis();\n        return this.result;\n    }\n    checkParenthesis() {\n        let counter = 0;\n        for (let line of this.result) {\n            if (line.kind === Kind_1.Kind.OPENING_PARENTHESIS)\n                counter++;\n            if (line.kind === Kind_1.Kind.CLOSING_PARENTHESIS)\n                counter--;\n        }\n        if (counter !== 0) {\n            throw new MFError(this.mf, this.i, 'number of opening and closing parenthesis not equal');\n        }\n    }\n    getNumber(ascii) {\n        let number = '';\n        let previous;\n        do {\n            previous = ascii;\n            number += String.fromCharCode(ascii);\n            this.i++;\n            ascii = this.mf.charCodeAt(this.i);\n        } while ((ascii > 47 && ascii < 58) ||\n            ascii === 46 ||\n            ascii === 45 ||\n            ascii === 47); // number . - /\n        // we need to deal with the case there is a from / to\n        if (previous === 46)\n            this.i--;\n        let indexOfDash = number.indexOf('-', 1);\n        if (indexOfDash > -1) {\n            return {\n                from: parseNumberWithDivision(number.slice(0, indexOfDash)),\n                to: parseNumberWithDivision(number.slice(indexOfDash + 1)),\n            };\n        }\n        return { from: parseNumberWithDivision(number) };\n    }\n    getAtom(ascii) {\n        let atom = '';\n        do {\n            atom += String.fromCharCode(ascii);\n            this.i++;\n            ascii = this.mf.charCodeAt(this.i);\n        } while (ascii > 96 && ascii < 123);\n        return atom;\n    }\n    getIsotope(ascii) {\n        // [13C]\n        let substring = '';\n        do {\n            substring += String.fromCharCode(ascii);\n            this.i++;\n            ascii = this.mf.charCodeAt(this.i);\n        } while (ascii !== 93 && this.i <= this.mf.length);\n        let atom = substring.replaceAll(/[^A-Za-z]/g, '');\n        let isotope = Number(substring.replaceAll(/\\D/g, ''));\n        return { atom, isotope };\n    }\n    getCurlyBracketIsotopeRatio(ascii) {\n        let substring = '';\n        let first = true;\n        do {\n            if (!first) {\n                substring += String.fromCharCode(ascii);\n            }\n            else {\n                first = false;\n            }\n            this.i++;\n            ascii = this.mf.charCodeAt(this.i);\n        } while (ascii !== 125 && this.i <= this.mf.length); // closing curly bracket\n        if (substring.match(/^[0-9.,]+$/)) {\n            return substring.split(',').map(Number);\n        }\n        throw new MFError(this.mf, this.i, 'Curly brackets should contain only number, dot and comma');\n    }\n    getParenthesisCharge(ascii) {\n        let substring = '';\n        let begin = this.i;\n        do {\n            substring += String.fromCharCode(ascii);\n            this.i++;\n            ascii = this.mf.charCodeAt(this.i);\n        } while (ascii !== 41 && this.i <= this.mf.length); // closing parenthesis\n        if (substring.match(/^\\([\\d+-]+$/)) {\n            return (0, parseCharge_1.parseCharge)(substring.slice(1));\n        }\n        else {\n            this.i = begin;\n            return undefined;\n        }\n    }\n    getNonParenthesisCharge(ascii) {\n        let substring = '';\n        do {\n            substring += String.fromCharCode(ascii);\n            this.i++;\n            ascii = this.mf.charCodeAt(this.i);\n        } while (ascii === 43 || ascii === 45 || (ascii > 47 && ascii < 58));\n        this.i--;\n        return (0, parseCharge_1.parseCharge)(substring);\n    }\n}\nclass MFError extends SyntaxError {\n    constructor(mf, i, message) {\n        let text = `${message}\\n\\n${mf}\\n${' '.repeat(i)}^`;\n        super(text);\n    }\n}\nfunction parseNumberWithDivision(string) {\n    if (string.includes('/')) {\n        let parts = string.split('/');\n        if (parts.length !== 2) {\n            throw new TypeError('Can not parse MF with number like: ', string);\n        }\n        return Number(parts[0]) / Number(parts[1]);\n    }\n    else {\n        return Number(string);\n    }\n}\n//# sourceMappingURL=parse.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.subscript = exports.superscript = void 0;\nexports.superscript = {\n    0: '⁰',\n    1: '¹',\n    2: '²',\n    3: '³',\n    4: '⁴',\n    5: '⁵',\n    6: '⁶',\n    7: '⁷',\n    8: '⁸',\n    9: '⁹',\n    '+': '⁺',\n    '-': '⁻',\n    '(': '⁽',\n    ')': '⁾',\n    '{': '⁽',\n    '}': '⁾',\n    '.': '˙',\n    ',': '˒',\n};\nexports.subscript = {\n    0: '₀',\n    1: '₁',\n    2: '₂',\n    3: '₃',\n    4: '₄',\n    5: '₅',\n    6: '₆',\n    7: '₇',\n    8: '₈',\n    9: '₉',\n    '(': '₍',\n    ')': '₎',\n    '{': '₍',\n    '}': '₎',\n    '.': ' ',\n    ',': ' ',\n};\n//# sourceMappingURL=subSuperscript.js.map","\"use strict\";\n/**\n * Defines static variables corresponding to the various formatting possibilities\n */\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.Format = void 0;\nexports.Format = {\n    SUBSCRIPT: 'subscript',\n    SUPERSCRIPT: 'superscript',\n    SUPERIMPOSE: 'superimpose',\n    TEXT: 'text',\n};\n//# sourceMappingURL=Format.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.formatCharge = formatCharge;\nfunction formatCharge(charge) {\n    if (charge === 1)\n        return '+';\n    if (charge > 1)\n        return `+${charge}`;\n    if (charge < 0)\n        return String(charge);\n    return '';\n}\n//# sourceMappingURL=formatCharge.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.toDisplay = toDisplay;\nconst Format_1 = require(\"../Format\");\nconst Kind_1 = require(\"../Kind\");\nconst formatCharge_js_1 = require(\"./formatCharge.js\");\n/**\n * Converts an array of mf elements to an array of formatting information\n * @param {object[]} lines of the parse method\n * @returns {{kind: string, value: string}[]}\n */\nfunction toDisplay(lines) {\n    let results = [];\n    let result = {};\n    for (let line of lines) {\n        switch (line.kind) {\n            case Kind_1.Kind.MULTIPLIER:\n                if (line.value !== 1) {\n                    result = {\n                        kind: Format_1.Format.SUBSCRIPT,\n                        value: String(line.value),\n                    };\n                    results.push(result);\n                }\n                break;\n            case Kind_1.Kind.MULTIPLIER_RANGE:\n                result = {\n                    kind: Format_1.Format.SUBSCRIPT,\n                    value: `${String(line.value.from)}-${line.value.to}`,\n                };\n                results.push(result);\n                break;\n            case Kind_1.Kind.CHARGE:\n                if (result.kind === Format_1.Format.SUBSCRIPT) {\n                    result.kind = Format_1.Format.SUPERIMPOSE;\n                    result.over = (0, formatCharge_js_1.formatCharge)(line.value);\n                    result.under = result.value;\n                    result.value = undefined;\n                }\n                else {\n                    result = {\n                        kind: Format_1.Format.SUPERSCRIPT,\n                        value: (0, formatCharge_js_1.formatCharge)(line.value),\n                    };\n                    results.push(result);\n                }\n                break;\n            case Kind_1.Kind.ISOTOPE:\n                result = {\n                    kind: Format_1.Format.SUPERSCRIPT,\n                    value: line.value.isotope,\n                };\n                results.push(result);\n                result = {\n                    kind: Format_1.Format.TEXT,\n                    value: line.value.atom,\n                };\n                results.push(result);\n                break;\n            case Kind_1.Kind.ISOTOPE_RATIO:\n                if (result.kind === Format_1.Format.TEXT) {\n                    result.value += line.value.atom;\n                }\n                else {\n                    result = {\n                        kind: Format_1.Format.TEXT,\n                        value: line.value.atom,\n                    };\n                    results.push(result);\n                }\n                result = {\n                    kind: Format_1.Format.SUPERSCRIPT,\n                    value: `{${line.value.ratio.join(',')}}`,\n                };\n                results.push(result);\n                break;\n            case Kind_1.Kind.SALT:\n                if (result.kind === Format_1.Format.TEXT) {\n                    result.value += ' • ';\n                }\n                else {\n                    result = {\n                        kind: Format_1.Format.TEXT,\n                        value: ' • ',\n                    };\n                    results.push(result);\n                }\n                break;\n            default:\n                if (result.kind === Format_1.Format.TEXT) {\n                    result.value += line.value;\n                }\n                else {\n                    result = {\n                        kind: Format_1.Format.TEXT,\n                        value: line.value,\n                    };\n                    results.push(result);\n                }\n        }\n    }\n    return results;\n}\n//# sourceMappingURL=toDisplay.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.elementsAndIsotopes = void 0;\nexports.elementsAndIsotopes = [\n    {\n        number: 1,\n        isotopes: [\n            { nominal: 1, mass: 1.00782503223, abundance: 0.999885 },\n            { nominal: 2, mass: 2.01410177812, abundance: 0.000115 },\n            { nominal: 3, mass: 3.0160492779 },\n            { nominal: 4, mass: 4.02643 },\n            { nominal: 5, mass: 5.035311 },\n            { nominal: 6, mass: 6.04496 },\n            { nominal: 7, mass: 7.0527 },\n        ],\n        symbol: 'H',\n        mass: 1.0079407540557772,\n        name: 'Hydrogen',\n        monoisotopicMass: 1.00782503223,\n    },\n    {\n        number: 2,\n        isotopes: [\n            { nominal: 3, mass: 3.0160293201, abundance: 0.00000134 },\n            { nominal: 4, mass: 4.00260325413, abundance: 0.99999866 },\n            { nominal: 5, mass: 5.012057 },\n            { nominal: 6, mass: 6.018885891 },\n            { nominal: 7, mass: 7.0279907 },\n            { nominal: 8, mass: 8.03393439 },\n            { nominal: 9, mass: 9.043946 },\n            { nominal: 10, mass: 10.05279 },\n        ],\n        symbol: 'He',\n        mass: 4.002601932120929,\n        name: 'Helium',\n        monoisotopicMass: 4.00260325413,\n    },\n    {\n        number: 3,\n        isotopes: [\n            { nominal: 3, mass: 3.0308 },\n            { nominal: 4, mass: 4.02719 },\n            { nominal: 5, mass: 5.012538 },\n            { nominal: 6, mass: 6.0151228874, abundance: 0.0759 },\n            { nominal: 7, mass: 7.0160034366, abundance: 0.9241 },\n            { nominal: 8, mass: 8.022486246 },\n            { nominal: 9, mass: 9.02679019 },\n            { nominal: 10, mass: 10.035483 },\n            { nominal: 11, mass: 11.04372358 },\n            { nominal: 12, mass: 12.052517 },\n            { nominal: 13, mass: 13.06263 },\n        ],\n        symbol: 'Li',\n        mass: 6.94003660291572,\n        name: 'Lithium',\n        monoisotopicMass: 7.0160034366,\n    },\n    {\n        number: 4,\n        isotopes: [\n            { nominal: 5, mass: 5.0399 },\n            { nominal: 6, mass: 6.0197264 },\n            { nominal: 7, mass: 7.016928717 },\n            { nominal: 8, mass: 8.005305102 },\n            { nominal: 9, mass: 9.012183065, abundance: 1 },\n            { nominal: 10, mass: 10.013534695 },\n            { nominal: 11, mass: 11.02166108 },\n            { nominal: 12, mass: 12.0269221 },\n            { nominal: 13, mass: 13.036135 },\n            { nominal: 14, mass: 14.04289 },\n            { nominal: 15, mass: 15.05342 },\n            { nominal: 16, mass: 16.06167 },\n        ],\n        symbol: 'Be',\n        mass: 9.012183065,\n        name: 'Beryllium',\n        monoisotopicMass: 9.012183065,\n    },\n    {\n        number: 5,\n        isotopes: [\n            { nominal: 6, mass: 6.0508 },\n            { nominal: 7, mass: 7.029712 },\n            { nominal: 8, mass: 8.0246073 },\n            { nominal: 9, mass: 9.01332965 },\n            { nominal: 10, mass: 10.01293695, abundance: 0.199 },\n            { nominal: 11, mass: 11.00930536, abundance: 0.801 },\n            { nominal: 12, mass: 12.0143527 },\n            { nominal: 13, mass: 13.0177802 },\n            { nominal: 14, mass: 14.025404 },\n            { nominal: 15, mass: 15.031088 },\n            { nominal: 16, mass: 16.039842 },\n            { nominal: 17, mass: 17.04699 },\n            { nominal: 18, mass: 18.05566 },\n            { nominal: 19, mass: 19.0631 },\n            { nominal: 20, mass: 20.07207 },\n            { nominal: 21, mass: 21.08129 },\n        ],\n        symbol: 'B',\n        mass: 10.811028046410001,\n        name: 'Boron',\n        monoisotopicMass: 11.00930536,\n    },\n    {\n        number: 6,\n        isotopes: [\n            { nominal: 8, mass: 8.037643 },\n            { nominal: 9, mass: 9.0310372 },\n            { nominal: 10, mass: 10.01685331 },\n            { nominal: 11, mass: 11.0114336 },\n            { nominal: 12, mass: 12, abundance: 0.9893 },\n            { nominal: 13, mass: 13.00335483507, abundance: 0.0107 },\n            { nominal: 14, mass: 14.0032419884 },\n            { nominal: 15, mass: 15.01059926 },\n            { nominal: 16, mass: 16.0147013 },\n            { nominal: 17, mass: 17.022577 },\n            { nominal: 18, mass: 18.026751 },\n            { nominal: 19, mass: 19.0348 },\n            { nominal: 20, mass: 20.04032 },\n            { nominal: 21, mass: 21.049 },\n            { nominal: 22, mass: 22.05753 },\n            { nominal: 23, mass: 23.0689 },\n        ],\n        symbol: 'C',\n        mass: 12.010735896735248,\n        name: 'Carbon',\n        monoisotopicMass: 12,\n    },\n    {\n        number: 7,\n        isotopes: [\n            { nominal: 10, mass: 10.04165 },\n            { nominal: 11, mass: 11.026091 },\n            { nominal: 12, mass: 12.0186132 },\n            { nominal: 13, mass: 13.00573861 },\n            { nominal: 14, mass: 14.00307400443, abundance: 0.99636 },\n            { nominal: 15, mass: 15.00010889888, abundance: 0.00364 },\n            { nominal: 16, mass: 16.0061019 },\n            { nominal: 17, mass: 17.008449 },\n            { nominal: 18, mass: 18.014078 },\n            { nominal: 19, mass: 19.017022 },\n            { nominal: 20, mass: 20.023366 },\n            { nominal: 21, mass: 21.02711 },\n            { nominal: 22, mass: 22.03439 },\n            { nominal: 23, mass: 23.04114 },\n            { nominal: 24, mass: 24.05039 },\n            { nominal: 25, mass: 25.0601 },\n        ],\n        symbol: 'N',\n        mass: 14.006703211445798,\n        name: 'Nitrogen',\n        monoisotopicMass: 14.00307400443,\n    },\n    {\n        number: 8,\n        isotopes: [\n            { nominal: 12, mass: 12.034262 },\n            { nominal: 13, mass: 13.024815 },\n            { nominal: 14, mass: 14.00859636 },\n            { nominal: 15, mass: 15.00306562 },\n            { nominal: 16, mass: 15.99491461957, abundance: 0.99757 },\n            { nominal: 17, mass: 16.9991317565, abundance: 0.00038 },\n            { nominal: 18, mass: 17.99915961286, abundance: 0.00205 },\n            { nominal: 19, mass: 19.003578 },\n            { nominal: 20, mass: 20.00407535 },\n            { nominal: 21, mass: 21.008655 },\n            { nominal: 22, mass: 22.009966 },\n            { nominal: 23, mass: 23.015696 },\n            { nominal: 24, mass: 24.01986 },\n            { nominal: 25, mass: 25.02936 },\n            { nominal: 26, mass: 26.03729 },\n            { nominal: 27, mass: 27.04772 },\n            { nominal: 28, mass: 28.05591 },\n        ],\n        symbol: 'O',\n        mass: 15.999404924318277,\n        name: 'Oxygen',\n        monoisotopicMass: 15.99491461957,\n    },\n    {\n        number: 9,\n        isotopes: [\n            { nominal: 14, mass: 14.034315 },\n            { nominal: 15, mass: 15.018043 },\n            { nominal: 16, mass: 16.0114657 },\n            { nominal: 17, mass: 17.00209524 },\n            { nominal: 18, mass: 18.00093733 },\n            { nominal: 19, mass: 18.99840316273, abundance: 1 },\n            { nominal: 20, mass: 19.999981252 },\n            { nominal: 21, mass: 20.9999489 },\n            { nominal: 22, mass: 22.002999 },\n            { nominal: 23, mass: 23.003557 },\n            { nominal: 24, mass: 24.008115 },\n            { nominal: 25, mass: 25.012199 },\n            { nominal: 26, mass: 26.020038 },\n            { nominal: 27, mass: 27.02644 },\n            { nominal: 28, mass: 28.03534 },\n            { nominal: 29, mass: 29.04254 },\n            { nominal: 30, mass: 30.05165 },\n            { nominal: 31, mass: 31.05971 },\n        ],\n        symbol: 'F',\n        mass: 18.99840316273,\n        name: 'Fluorine',\n        monoisotopicMass: 18.99840316273,\n    },\n    {\n        number: 10,\n        isotopes: [\n            { nominal: 16, mass: 16.02575 },\n            { nominal: 17, mass: 17.01771396 },\n            { nominal: 18, mass: 18.0057087 },\n            { nominal: 19, mass: 19.00188091 },\n            { nominal: 20, mass: 19.9924401762, abundance: 0.9048 },\n            { nominal: 21, mass: 20.993846685, abundance: 0.0027 },\n            { nominal: 22, mass: 21.991385114, abundance: 0.0925 },\n            { nominal: 23, mass: 22.99446691 },\n            { nominal: 24, mass: 23.99361065 },\n            { nominal: 25, mass: 24.997789 },\n            { nominal: 26, mass: 26.000515 },\n            { nominal: 27, mass: 27.007553 },\n            { nominal: 28, mass: 28.01212 },\n            { nominal: 29, mass: 29.01975 },\n            { nominal: 30, mass: 30.02473 },\n            { nominal: 31, mass: 31.0331 },\n            { nominal: 32, mass: 32.03972 },\n            { nominal: 33, mass: 33.04938 },\n            { nominal: 34, mass: 34.05673 },\n        ],\n        symbol: 'Ne',\n        mass: 20.18004638052026,\n        name: 'Neon',\n        monoisotopicMass: 19.9924401762,\n    },\n    {\n        number: 11,\n        isotopes: [\n            { nominal: 18, mass: 18.02688 },\n            { nominal: 19, mass: 19.01388 },\n            { nominal: 20, mass: 20.0073544 },\n            { nominal: 21, mass: 20.99765469 },\n            { nominal: 22, mass: 21.99443741 },\n            { nominal: 23, mass: 22.989769282, abundance: 1 },\n            { nominal: 24, mass: 23.99096295 },\n            { nominal: 25, mass: 24.989954 },\n            { nominal: 26, mass: 25.9926346 },\n            { nominal: 27, mass: 26.9940765 },\n            { nominal: 28, mass: 27.998939 },\n            { nominal: 29, mass: 29.0028771 },\n            { nominal: 30, mass: 30.0090979 },\n            { nominal: 31, mass: 31.013163 },\n            { nominal: 32, mass: 32.02019 },\n            { nominal: 33, mass: 33.02573 },\n            { nominal: 34, mass: 34.03359 },\n            { nominal: 35, mass: 35.04062 },\n            { nominal: 36, mass: 36.04929 },\n            { nominal: 37, mass: 37.05705 },\n        ],\n        symbol: 'Na',\n        mass: 22.989769282,\n        name: 'Sodium',\n        monoisotopicMass: 22.989769282,\n    },\n    {\n        number: 12,\n        isotopes: [\n            { nominal: 19, mass: 19.034169 },\n            { nominal: 20, mass: 20.01885 },\n            { nominal: 21, mass: 21.011716 },\n            { nominal: 22, mass: 21.99957065 },\n            { nominal: 23, mass: 22.99412421 },\n            { nominal: 24, mass: 23.985041697, abundance: 0.7899 },\n            { nominal: 25, mass: 24.985836976, abundance: 0.1 },\n            { nominal: 26, mass: 25.982592968, abundance: 0.1101 },\n            { nominal: 27, mass: 26.984340624 },\n            { nominal: 28, mass: 27.9838767 },\n            { nominal: 29, mass: 28.988617 },\n            { nominal: 30, mass: 29.9904629 },\n            { nominal: 31, mass: 30.996648 },\n            { nominal: 32, mass: 31.9991102 },\n            { nominal: 33, mass: 33.0053271 },\n            { nominal: 34, mass: 34.008935 },\n            { nominal: 35, mass: 35.01679 },\n            { nominal: 36, mass: 36.02188 },\n            { nominal: 37, mass: 37.03037 },\n            { nominal: 38, mass: 38.03658 },\n            { nominal: 39, mass: 39.04538 },\n            { nominal: 40, mass: 40.05218 },\n        ],\n        symbol: 'Mg',\n        mass: 24.3050516198371,\n        name: 'Magnesium',\n        monoisotopicMass: 23.985041697,\n    },\n    {\n        number: 13,\n        isotopes: [\n            { nominal: 21, mass: 21.02897 },\n            { nominal: 22, mass: 22.01954 },\n            { nominal: 23, mass: 23.00724435 },\n            { nominal: 24, mass: 23.9999489 },\n            { nominal: 25, mass: 24.9904281 },\n            { nominal: 26, mass: 25.986891904 },\n            { nominal: 27, mass: 26.98153853, abundance: 1 },\n            { nominal: 28, mass: 27.98191021 },\n            { nominal: 29, mass: 28.9804565 },\n            { nominal: 30, mass: 29.98296 },\n            { nominal: 31, mass: 30.983945 },\n            { nominal: 32, mass: 31.988085 },\n            { nominal: 33, mass: 32.990909 },\n            { nominal: 34, mass: 33.996705 },\n            { nominal: 35, mass: 34.999764 },\n            { nominal: 36, mass: 36.00639 },\n            { nominal: 37, mass: 37.01053 },\n            { nominal: 38, mass: 38.0174 },\n            { nominal: 39, mass: 39.02254 },\n            { nominal: 40, mass: 40.03003 },\n            { nominal: 41, mass: 41.03638 },\n            { nominal: 42, mass: 42.04384 },\n            { nominal: 43, mass: 43.05147 },\n        ],\n        symbol: 'Al',\n        mass: 26.98153853,\n        name: 'Aluminium',\n        monoisotopicMass: 26.98153853,\n    },\n    {\n        number: 14,\n        isotopes: [\n            { nominal: 22, mass: 22.03579 },\n            { nominal: 23, mass: 23.02544 },\n            { nominal: 24, mass: 24.011535 },\n            { nominal: 25, mass: 25.004109 },\n            { nominal: 26, mass: 25.99233384 },\n            { nominal: 27, mass: 26.98670481 },\n            { nominal: 28, mass: 27.97692653465, abundance: 0.92223 },\n            { nominal: 29, mass: 28.9764946649, abundance: 0.04685 },\n            { nominal: 30, mass: 29.973770136, abundance: 0.03092 },\n            { nominal: 31, mass: 30.975363194 },\n            { nominal: 32, mass: 31.97415154 },\n            { nominal: 33, mass: 32.97797696 },\n            { nominal: 34, mass: 33.978576 },\n            { nominal: 35, mass: 34.984583 },\n            { nominal: 36, mass: 35.986695 },\n            { nominal: 37, mass: 36.992921 },\n            { nominal: 38, mass: 37.995523 },\n            { nominal: 39, mass: 39.002491 },\n            { nominal: 40, mass: 40.00583 },\n            { nominal: 41, mass: 41.01301 },\n            { nominal: 42, mass: 42.01778 },\n            { nominal: 43, mass: 43.0248 },\n            { nominal: 44, mass: 44.03061 },\n            { nominal: 45, mass: 45.03995 },\n        ],\n        symbol: 'Si',\n        mass: 28.085498705705955,\n        name: 'Silicon',\n        monoisotopicMass: 27.97692653465,\n    },\n    {\n        number: 15,\n        isotopes: [\n            { nominal: 24, mass: 24.03577 },\n            { nominal: 25, mass: 25.02119 },\n            { nominal: 26, mass: 26.01178 },\n            { nominal: 27, mass: 26.999224 },\n            { nominal: 28, mass: 27.9923266 },\n            { nominal: 29, mass: 28.98180079 },\n            { nominal: 30, mass: 29.97831375 },\n            { nominal: 31, mass: 30.97376199842, abundance: 1 },\n            { nominal: 32, mass: 31.973907643 },\n            { nominal: 33, mass: 32.9717257 },\n            { nominal: 34, mass: 33.97364589 },\n            { nominal: 35, mass: 34.9733141 },\n            { nominal: 36, mass: 35.97826 },\n            { nominal: 37, mass: 36.979607 },\n            { nominal: 38, mass: 37.984252 },\n            { nominal: 39, mass: 38.986227 },\n            { nominal: 40, mass: 39.99133 },\n            { nominal: 41, mass: 40.994654 },\n            { nominal: 42, mass: 42.00108 },\n            { nominal: 43, mass: 43.00502 },\n            { nominal: 44, mass: 44.01121 },\n            { nominal: 45, mass: 45.01645 },\n            { nominal: 46, mass: 46.02446 },\n            { nominal: 47, mass: 47.03139 },\n        ],\n        symbol: 'P',\n        mass: 30.97376199842,\n        name: 'Phosphorus',\n        monoisotopicMass: 30.97376199842,\n    },\n    {\n        number: 16,\n        isotopes: [\n            { nominal: 26, mass: 26.02907 },\n            { nominal: 27, mass: 27.01828 },\n            { nominal: 28, mass: 28.00437 },\n            { nominal: 29, mass: 28.996611 },\n            { nominal: 30, mass: 29.98490703 },\n            { nominal: 31, mass: 30.97955701 },\n            { nominal: 32, mass: 31.9720711744, abundance: 0.9499 },\n            { nominal: 33, mass: 32.9714589098, abundance: 0.0075 },\n            { nominal: 34, mass: 33.967867004, abundance: 0.0425 },\n            { nominal: 35, mass: 34.96903231 },\n            { nominal: 36, mass: 35.96708071, abundance: 0.0001 },\n            { nominal: 37, mass: 36.97112551 },\n            { nominal: 38, mass: 37.9711633 },\n            { nominal: 39, mass: 38.975134 },\n            { nominal: 40, mass: 39.9754826 },\n            { nominal: 41, mass: 40.9795935 },\n            { nominal: 42, mass: 41.9810651 },\n            { nominal: 43, mass: 42.9869076 },\n            { nominal: 44, mass: 43.9901188 },\n            { nominal: 45, mass: 44.99572 },\n            { nominal: 46, mass: 46.00004 },\n            { nominal: 47, mass: 47.00795 },\n            { nominal: 48, mass: 48.0137 },\n            { nominal: 49, mass: 49.02276 },\n        ],\n        symbol: 'S',\n        mass: 32.06478740612706,\n        name: 'Sulfur',\n        monoisotopicMass: 31.9720711744,\n    },\n    {\n        number: 17,\n        isotopes: [\n            { nominal: 28, mass: 28.02954 },\n            { nominal: 29, mass: 29.01478 },\n            { nominal: 30, mass: 30.00477 },\n            { nominal: 31, mass: 30.992414 },\n            { nominal: 32, mass: 31.98568464 },\n            { nominal: 33, mass: 32.97745199 },\n            { nominal: 34, mass: 33.973762485 },\n            { nominal: 35, mass: 34.968852682, abundance: 0.7576 },\n            { nominal: 36, mass: 35.968306809 },\n            { nominal: 37, mass: 36.965902602, abundance: 0.2424 },\n            { nominal: 38, mass: 37.96801044 },\n            { nominal: 39, mass: 38.9680082 },\n            { nominal: 40, mass: 39.970415 },\n            { nominal: 41, mass: 40.970685 },\n            { nominal: 42, mass: 41.97325 },\n            { nominal: 43, mass: 42.97389 },\n            { nominal: 44, mass: 43.97787 },\n            { nominal: 45, mass: 44.98029 },\n            { nominal: 46, mass: 45.98517 },\n            { nominal: 47, mass: 46.98916 },\n            { nominal: 48, mass: 47.99564 },\n            { nominal: 49, mass: 49.00123 },\n            { nominal: 50, mass: 50.00905 },\n            { nominal: 51, mass: 51.01554 },\n        ],\n        symbol: 'Cl',\n        mass: 35.452937582608,\n        name: 'Chlorine',\n        monoisotopicMass: 34.968852682,\n    },\n    {\n        number: 18,\n        isotopes: [\n            { nominal: 30, mass: 30.02307 },\n            { nominal: 31, mass: 31.01212 },\n            { nominal: 32, mass: 31.9976378 },\n            { nominal: 33, mass: 32.98992555 },\n            { nominal: 34, mass: 33.98027009 },\n            { nominal: 35, mass: 34.97525759 },\n            { nominal: 36, mass: 35.967545105, abundance: 0.003336 },\n            { nominal: 37, mass: 36.96677633 },\n            { nominal: 38, mass: 37.96273211, abundance: 0.000629 },\n            { nominal: 39, mass: 38.964313 },\n            { nominal: 40, mass: 39.9623831237, abundance: 0.996035 },\n            { nominal: 41, mass: 40.96450057 },\n            { nominal: 42, mass: 41.9630457 },\n            { nominal: 43, mass: 42.9656361 },\n            { nominal: 44, mass: 43.9649238 },\n            { nominal: 45, mass: 44.96803973 },\n            { nominal: 46, mass: 45.968083 },\n            { nominal: 47, mass: 46.972935 },\n            { nominal: 48, mass: 47.97591 },\n            { nominal: 49, mass: 48.9819 },\n            { nominal: 50, mass: 49.98613 },\n            { nominal: 51, mass: 50.9937 },\n            { nominal: 52, mass: 51.99896 },\n            { nominal: 53, mass: 53.00729 },\n        ],\n        symbol: 'Ar',\n        mass: 39.947798563582005,\n        name: 'Argon',\n        monoisotopicMass: 39.9623831237,\n    },\n    {\n        number: 19,\n        isotopes: [\n            { nominal: 32, mass: 32.02265 },\n            { nominal: 33, mass: 33.00756 },\n            { nominal: 34, mass: 33.99869 },\n            { nominal: 35, mass: 34.98800541 },\n            { nominal: 36, mass: 35.98130201 },\n            { nominal: 37, mass: 36.97337589 },\n            { nominal: 38, mass: 37.96908112 },\n            { nominal: 39, mass: 38.9637064864, abundance: 0.932581 },\n            { nominal: 40, mass: 39.963998166, abundance: 0.000117 },\n            { nominal: 41, mass: 40.9618252579, abundance: 0.067302 },\n            { nominal: 42, mass: 41.96240231 },\n            { nominal: 43, mass: 42.9607347 },\n            { nominal: 44, mass: 43.96158699 },\n            { nominal: 45, mass: 44.96069149 },\n            { nominal: 46, mass: 45.96198159 },\n            { nominal: 47, mass: 46.9616616 },\n            { nominal: 48, mass: 47.96534119 },\n            { nominal: 49, mass: 48.96821075 },\n            { nominal: 50, mass: 49.97238 },\n            { nominal: 51, mass: 50.975828 },\n            { nominal: 52, mass: 51.98224 },\n            { nominal: 53, mass: 52.98746 },\n            { nominal: 54, mass: 53.99463 },\n            { nominal: 55, mass: 55.00076 },\n            { nominal: 56, mass: 56.00851 },\n        ],\n        symbol: 'K',\n        mass: 39.098300910086,\n        name: 'Potassium',\n        monoisotopicMass: 38.9637064864,\n    },\n    {\n        number: 20,\n        isotopes: [\n            { nominal: 34, mass: 34.01487 },\n            { nominal: 35, mass: 35.00514 },\n            { nominal: 36, mass: 35.993074 },\n            { nominal: 37, mass: 36.98589785 },\n            { nominal: 38, mass: 37.97631922 },\n            { nominal: 39, mass: 38.97071081 },\n            { nominal: 40, mass: 39.962590863, abundance: 0.96941 },\n            { nominal: 41, mass: 40.96227792 },\n            { nominal: 42, mass: 41.95861783, abundance: 0.00647 },\n            { nominal: 43, mass: 42.95876644, abundance: 0.00135 },\n            { nominal: 44, mass: 43.95548156, abundance: 0.02086 },\n            { nominal: 45, mass: 44.95618635 },\n            { nominal: 46, mass: 45.953689, abundance: 0.00004 },\n            { nominal: 47, mass: 46.9545424 },\n            { nominal: 48, mass: 47.95252276, abundance: 0.00187 },\n            { nominal: 49, mass: 48.95566274 },\n            { nominal: 50, mass: 49.9574992 },\n            { nominal: 51, mass: 50.960989 },\n            { nominal: 52, mass: 51.963217 },\n            { nominal: 53, mass: 52.96945 },\n            { nominal: 54, mass: 53.9734 },\n            { nominal: 55, mass: 54.9803 },\n            { nominal: 56, mass: 55.98508 },\n            { nominal: 57, mass: 56.99262 },\n            { nominal: 58, mass: 57.99794 },\n        ],\n        symbol: 'Ca',\n        mass: 40.078022511017735,\n        name: 'Calcium',\n        monoisotopicMass: 39.962590863,\n    },\n    {\n        number: 21,\n        isotopes: [\n            { nominal: 36, mass: 36.01648 },\n            { nominal: 37, mass: 37.00374 },\n            { nominal: 38, mass: 37.99512 },\n            { nominal: 39, mass: 38.984785 },\n            { nominal: 40, mass: 39.9779673 },\n            { nominal: 41, mass: 40.969251105 },\n            { nominal: 42, mass: 41.96551653 },\n            { nominal: 43, mass: 42.9611505 },\n            { nominal: 44, mass: 43.9594029 },\n            { nominal: 45, mass: 44.95590828, abundance: 1 },\n            { nominal: 46, mass: 45.95516826 },\n            { nominal: 47, mass: 46.9524037 },\n            { nominal: 48, mass: 47.9522236 },\n            { nominal: 49, mass: 48.9500146 },\n            { nominal: 50, mass: 49.952176 },\n            { nominal: 51, mass: 50.953592 },\n            { nominal: 52, mass: 51.95688 },\n            { nominal: 53, mass: 52.95909 },\n            { nominal: 54, mass: 53.96393 },\n            { nominal: 55, mass: 54.96782 },\n            { nominal: 56, mass: 55.97345 },\n            { nominal: 57, mass: 56.97777 },\n            { nominal: 58, mass: 57.98403 },\n            { nominal: 59, mass: 58.98894 },\n            { nominal: 60, mass: 59.99565 },\n            { nominal: 61, mass: 61.001 },\n        ],\n        symbol: 'Sc',\n        mass: 44.95590828,\n        name: 'Scandium',\n        monoisotopicMass: 44.95590828,\n    },\n    {\n        number: 22,\n        isotopes: [\n            { nominal: 38, mass: 38.01145 },\n            { nominal: 39, mass: 39.00236 },\n            { nominal: 40, mass: 39.9905 },\n            { nominal: 41, mass: 40.983148 },\n            { nominal: 42, mass: 41.97304903 },\n            { nominal: 43, mass: 42.9685225 },\n            { nominal: 44, mass: 43.95968995 },\n            { nominal: 45, mass: 44.95812198 },\n            { nominal: 46, mass: 45.95262772, abundance: 0.0825 },\n            { nominal: 47, mass: 46.95175879, abundance: 0.0744 },\n            { nominal: 48, mass: 47.94794198, abundance: 0.7372 },\n            { nominal: 49, mass: 48.94786568, abundance: 0.0541 },\n            { nominal: 50, mass: 49.94478689, abundance: 0.0518 },\n            { nominal: 51, mass: 50.94661065 },\n            { nominal: 52, mass: 51.946893 },\n            { nominal: 53, mass: 52.94973 },\n            { nominal: 54, mass: 53.95105 },\n            { nominal: 55, mass: 54.95527 },\n            { nominal: 56, mass: 55.95791 },\n            { nominal: 57, mass: 56.96364 },\n            { nominal: 58, mass: 57.9666 },\n            { nominal: 59, mass: 58.97247 },\n            { nominal: 60, mass: 59.97603 },\n            { nominal: 61, mass: 60.98245 },\n            { nominal: 62, mass: 61.98651 },\n            { nominal: 63, mass: 62.99375 },\n        ],\n        symbol: 'Ti',\n        mass: 47.866744962721995,\n        name: 'Titanium',\n        monoisotopicMass: 47.94794198,\n    },\n    {\n        number: 23,\n        isotopes: [\n            { nominal: 40, mass: 40.01276 },\n            { nominal: 41, mass: 41.00021 },\n            { nominal: 42, mass: 41.99182 },\n            { nominal: 43, mass: 42.980766 },\n            { nominal: 44, mass: 43.97411 },\n            { nominal: 45, mass: 44.9657748 },\n            { nominal: 46, mass: 45.96019878 },\n            { nominal: 47, mass: 46.95490491 },\n            { nominal: 48, mass: 47.9522522 },\n            { nominal: 49, mass: 48.9485118 },\n            { nominal: 50, mass: 49.94715601, abundance: 0.0025 },\n            { nominal: 51, mass: 50.94395704, abundance: 0.9975 },\n            { nominal: 52, mass: 51.94477301 },\n            { nominal: 53, mass: 52.9443367 },\n            { nominal: 54, mass: 53.946439 },\n            { nominal: 55, mass: 54.94724 },\n            { nominal: 56, mass: 55.95048 },\n            { nominal: 57, mass: 56.95252 },\n            { nominal: 58, mass: 57.95672 },\n            { nominal: 59, mass: 58.95939 },\n            { nominal: 60, mass: 59.96431 },\n            { nominal: 61, mass: 60.96725 },\n            { nominal: 62, mass: 61.97265 },\n            { nominal: 63, mass: 62.97639 },\n            { nominal: 64, mass: 63.98264 },\n            { nominal: 65, mass: 64.9875 },\n            { nominal: 66, mass: 65.99398 },\n        ],\n        symbol: 'V',\n        mass: 50.941465037425004,\n        name: 'Vanadium',\n        monoisotopicMass: 50.94395704,\n    },\n    {\n        number: 24,\n        isotopes: [\n            { nominal: 42, mass: 42.0067 },\n            { nominal: 43, mass: 42.99753 },\n            { nominal: 44, mass: 43.98536 },\n            { nominal: 45, mass: 44.97905 },\n            { nominal: 46, mass: 45.968359 },\n            { nominal: 47, mass: 46.9628974 },\n            { nominal: 48, mass: 47.9540291 },\n            { nominal: 49, mass: 48.9513333 },\n            { nominal: 50, mass: 49.94604183, abundance: 0.04345 },\n            { nominal: 51, mass: 50.94476502 },\n            { nominal: 52, mass: 51.94050623, abundance: 0.83789 },\n            { nominal: 53, mass: 52.94064815, abundance: 0.09501 },\n            { nominal: 54, mass: 53.93887916, abundance: 0.02365 },\n            { nominal: 55, mass: 54.94083843 },\n            { nominal: 56, mass: 55.9406531 },\n            { nominal: 57, mass: 56.943613 },\n            { nominal: 58, mass: 57.94435 },\n            { nominal: 59, mass: 58.94859 },\n            { nominal: 60, mass: 59.95008 },\n            { nominal: 61, mass: 60.95442 },\n            { nominal: 62, mass: 61.9561 },\n            { nominal: 63, mass: 62.96165 },\n            { nominal: 64, mass: 63.96408 },\n            { nominal: 65, mass: 64.96996 },\n            { nominal: 66, mass: 65.97366 },\n            { nominal: 67, mass: 66.98016 },\n            { nominal: 68, mass: 67.98403 },\n        ],\n        symbol: 'Cr',\n        mass: 51.9961317554337,\n        name: 'Chromium',\n        monoisotopicMass: 51.94050623,\n    },\n    {\n        number: 25,\n        isotopes: [\n            { nominal: 44, mass: 44.00715 },\n            { nominal: 45, mass: 44.99449 },\n            { nominal: 46, mass: 45.98609 },\n            { nominal: 47, mass: 46.975775 },\n            { nominal: 48, mass: 47.96852 },\n            { nominal: 49, mass: 48.959595 },\n            { nominal: 50, mass: 49.95423778 },\n            { nominal: 51, mass: 50.94820847 },\n            { nominal: 52, mass: 51.9455639 },\n            { nominal: 53, mass: 52.94128889 },\n            { nominal: 54, mass: 53.9403576 },\n            { nominal: 55, mass: 54.93804391, abundance: 1 },\n            { nominal: 56, mass: 55.93890369 },\n            { nominal: 57, mass: 56.9382861 },\n            { nominal: 58, mass: 57.9400666 },\n            { nominal: 59, mass: 58.9403911 },\n            { nominal: 60, mass: 59.9431366 },\n            { nominal: 61, mass: 60.9444525 },\n            { nominal: 62, mass: 61.94795 },\n            { nominal: 63, mass: 62.9496647 },\n            { nominal: 64, mass: 63.9538494 },\n            { nominal: 65, mass: 64.9560198 },\n            { nominal: 66, mass: 65.960547 },\n            { nominal: 67, mass: 66.96424 },\n            { nominal: 68, mass: 67.96962 },\n            { nominal: 69, mass: 68.97366 },\n            { nominal: 70, mass: 69.97937 },\n            { nominal: 71, mass: 70.98368 },\n        ],\n        symbol: 'Mn',\n        mass: 54.93804391,\n        name: 'Manganese',\n        monoisotopicMass: 54.93804391,\n    },\n    {\n        number: 26,\n        isotopes: [\n            { nominal: 45, mass: 45.01442 },\n            { nominal: 46, mass: 46.00063 },\n            { nominal: 47, mass: 46.99185 },\n            { nominal: 48, mass: 47.98023 },\n            { nominal: 49, mass: 48.973429 },\n            { nominal: 50, mass: 49.962975 },\n            { nominal: 51, mass: 50.956841 },\n            { nominal: 52, mass: 51.9481131 },\n            { nominal: 53, mass: 52.9453064 },\n            { nominal: 54, mass: 53.93960899, abundance: 0.05845 },\n            { nominal: 55, mass: 54.93829199 },\n            { nominal: 56, mass: 55.93493633, abundance: 0.91754 },\n            { nominal: 57, mass: 56.93539284, abundance: 0.02119 },\n            { nominal: 58, mass: 57.93327443, abundance: 0.00282 },\n            { nominal: 59, mass: 58.93487434 },\n            { nominal: 60, mass: 59.9340711 },\n            { nominal: 61, mass: 60.9367462 },\n            { nominal: 62, mass: 61.9367918 },\n            { nominal: 63, mass: 62.9402727 },\n            { nominal: 64, mass: 63.9409878 },\n            { nominal: 65, mass: 64.9450115 },\n            { nominal: 66, mass: 65.94625 },\n            { nominal: 67, mass: 66.95054 },\n            { nominal: 68, mass: 67.95295 },\n            { nominal: 69, mass: 68.95807 },\n            { nominal: 70, mass: 69.96102 },\n            { nominal: 71, mass: 70.96672 },\n            { nominal: 72, mass: 71.96983 },\n            { nominal: 73, mass: 72.97572 },\n            { nominal: 74, mass: 73.97935 },\n        ],\n        symbol: 'Fe',\n        mass: 55.845144433865904,\n        name: 'Iron',\n        monoisotopicMass: 55.93493633,\n    },\n    {\n        number: 27,\n        isotopes: [\n            { nominal: 47, mass: 47.01057 },\n            { nominal: 48, mass: 48.00093 },\n            { nominal: 49, mass: 48.98891 },\n            { nominal: 50, mass: 49.98091 },\n            { nominal: 51, mass: 50.970647 },\n            { nominal: 52, mass: 51.96351 },\n            { nominal: 53, mass: 52.9542041 },\n            { nominal: 54, mass: 53.94845987 },\n            { nominal: 55, mass: 54.9419972 },\n            { nominal: 56, mass: 55.9398388 },\n            { nominal: 57, mass: 56.93629057 },\n            { nominal: 58, mass: 57.9357521 },\n            { nominal: 59, mass: 58.93319429, abundance: 1 },\n            { nominal: 60, mass: 59.9338163 },\n            { nominal: 61, mass: 60.93247662 },\n            { nominal: 62, mass: 61.934059 },\n            { nominal: 63, mass: 62.9336 },\n            { nominal: 64, mass: 63.935811 },\n            { nominal: 65, mass: 64.9364621 },\n            { nominal: 66, mass: 65.939443 },\n            { nominal: 67, mass: 66.9406096 },\n            { nominal: 68, mass: 67.94426 },\n            { nominal: 69, mass: 68.94614 },\n            { nominal: 70, mass: 69.94963 },\n            { nominal: 71, mass: 70.95237 },\n            { nominal: 72, mass: 71.95729 },\n            { nominal: 73, mass: 72.96039 },\n            { nominal: 74, mass: 73.96515 },\n            { nominal: 75, mass: 74.96876 },\n            { nominal: 76, mass: 75.97413 },\n        ],\n        symbol: 'Co',\n        mass: 58.93319429,\n        name: 'Cobalt',\n        monoisotopicMass: 58.93319429,\n    },\n    {\n        number: 28,\n        isotopes: [\n            { nominal: 48, mass: 48.01769 },\n            { nominal: 49, mass: 49.0077 },\n            { nominal: 50, mass: 49.99474 },\n            { nominal: 51, mass: 50.98611 },\n            { nominal: 52, mass: 51.9748 },\n            { nominal: 53, mass: 52.96819 },\n            { nominal: 54, mass: 53.957892 },\n            { nominal: 55, mass: 54.95133063 },\n            { nominal: 56, mass: 55.94212855 },\n            { nominal: 57, mass: 56.93979218 },\n            { nominal: 58, mass: 57.93534241, abundance: 0.68077 },\n            { nominal: 59, mass: 58.9343462 },\n            { nominal: 60, mass: 59.93078588, abundance: 0.26223 },\n            { nominal: 61, mass: 60.93105557, abundance: 0.011399 },\n            { nominal: 62, mass: 61.92834537, abundance: 0.036346 },\n            { nominal: 63, mass: 62.92966963 },\n            { nominal: 64, mass: 63.92796682, abundance: 0.009255 },\n            { nominal: 65, mass: 64.93008517 },\n            { nominal: 66, mass: 65.9291393 },\n            { nominal: 67, mass: 66.9315694 },\n            { nominal: 68, mass: 67.9318688 },\n            { nominal: 69, mass: 68.9356103 },\n            { nominal: 70, mass: 69.9364313 },\n            { nominal: 71, mass: 70.940519 },\n            { nominal: 72, mass: 71.9417859 },\n            { nominal: 73, mass: 72.9462067 },\n            { nominal: 74, mass: 73.94798 },\n            { nominal: 75, mass: 74.9525 },\n            { nominal: 76, mass: 75.95533 },\n            { nominal: 77, mass: 76.96055 },\n            { nominal: 78, mass: 77.96336 },\n            { nominal: 79, mass: 78.97025 },\n        ],\n        symbol: 'Ni',\n        mass: 58.69334710994765,\n        name: 'Nickel',\n        monoisotopicMass: 57.93534241,\n    },\n    {\n        number: 29,\n        isotopes: [\n            { nominal: 52, mass: 51.99671 },\n            { nominal: 53, mass: 52.98459 },\n            { nominal: 54, mass: 53.97666 },\n            { nominal: 55, mass: 54.96604 },\n            { nominal: 56, mass: 55.95895 },\n            { nominal: 57, mass: 56.9492125 },\n            { nominal: 58, mass: 57.94453305 },\n            { nominal: 59, mass: 58.93949748 },\n            { nominal: 60, mass: 59.9373645 },\n            { nominal: 61, mass: 60.9334576 },\n            { nominal: 62, mass: 61.93259541 },\n            { nominal: 63, mass: 62.92959772, abundance: 0.6915 },\n            { nominal: 64, mass: 63.92976434 },\n            { nominal: 65, mass: 64.9277897, abundance: 0.3085 },\n            { nominal: 66, mass: 65.92886903 },\n            { nominal: 67, mass: 66.9277303 },\n            { nominal: 68, mass: 67.9296109 },\n            { nominal: 69, mass: 68.9294293 },\n            { nominal: 70, mass: 69.9323921 },\n            { nominal: 71, mass: 70.9326768 },\n            { nominal: 72, mass: 71.9358203 },\n            { nominal: 73, mass: 72.9366744 },\n            { nominal: 74, mass: 73.9398749 },\n            { nominal: 75, mass: 74.9415226 },\n            { nominal: 76, mass: 75.945275 },\n            { nominal: 77, mass: 76.94792 },\n            { nominal: 78, mass: 77.95223 },\n            { nominal: 79, mass: 78.95502 },\n            { nominal: 80, mass: 79.96089 },\n            { nominal: 81, mass: 80.96587 },\n            { nominal: 82, mass: 81.97244 },\n        ],\n        symbol: 'Cu',\n        mass: 63.54603994583,\n        name: 'Copper',\n        monoisotopicMass: 62.92959772,\n    },\n    {\n        number: 30,\n        isotopes: [\n            { nominal: 54, mass: 53.99204 },\n            { nominal: 55, mass: 54.98398 },\n            { nominal: 56, mass: 55.97254 },\n            { nominal: 57, mass: 56.96506 },\n            { nominal: 58, mass: 57.954591 },\n            { nominal: 59, mass: 58.94931266 },\n            { nominal: 60, mass: 59.9418421 },\n            { nominal: 61, mass: 60.939507 },\n            { nominal: 62, mass: 61.93433397 },\n            { nominal: 63, mass: 62.9332115 },\n            { nominal: 64, mass: 63.92914201, abundance: 0.4917 },\n            { nominal: 65, mass: 64.92924077 },\n            { nominal: 66, mass: 65.92603381, abundance: 0.2773 },\n            { nominal: 67, mass: 66.92712775, abundance: 0.0404 },\n            { nominal: 68, mass: 67.92484455, abundance: 0.1845 },\n            { nominal: 69, mass: 68.9265507 },\n            { nominal: 70, mass: 69.9253192, abundance: 0.0061 },\n            { nominal: 71, mass: 70.9277196 },\n            { nominal: 72, mass: 71.9268428 },\n            { nominal: 73, mass: 72.9295826 },\n            { nominal: 74, mass: 73.9294073 },\n            { nominal: 75, mass: 74.9328402 },\n            { nominal: 76, mass: 75.933115 },\n            { nominal: 77, mass: 76.9368872 },\n            { nominal: 78, mass: 77.9382892 },\n            { nominal: 79, mass: 78.9426381 },\n            { nominal: 80, mass: 79.9445529 },\n            { nominal: 81, mass: 80.9504026 },\n            { nominal: 82, mass: 81.95426 },\n            { nominal: 83, mass: 82.96056 },\n            { nominal: 84, mass: 83.96521 },\n            { nominal: 85, mass: 84.97226 },\n        ],\n        symbol: 'Zn',\n        mass: 65.37778252952499,\n        name: 'Zinc',\n        monoisotopicMass: 63.92914201,\n    },\n    {\n        number: 31,\n        isotopes: [\n            { nominal: 56, mass: 55.99536 },\n            { nominal: 57, mass: 56.9832 },\n            { nominal: 58, mass: 57.97478 },\n            { nominal: 59, mass: 58.96353 },\n            { nominal: 60, mass: 59.95729 },\n            { nominal: 61, mass: 60.949399 },\n            { nominal: 62, mass: 61.94419025 },\n            { nominal: 63, mass: 62.9392942 },\n            { nominal: 64, mass: 63.9368404 },\n            { nominal: 65, mass: 64.93273459 },\n            { nominal: 66, mass: 65.9315894 },\n            { nominal: 67, mass: 66.9282025 },\n            { nominal: 68, mass: 67.9279805 },\n            { nominal: 69, mass: 68.9255735, abundance: 0.60108 },\n            { nominal: 70, mass: 69.9260219 },\n            { nominal: 71, mass: 70.92470258, abundance: 0.39892 },\n            { nominal: 72, mass: 71.92636747 },\n            { nominal: 73, mass: 72.9251747 },\n            { nominal: 74, mass: 73.9269457 },\n            { nominal: 75, mass: 74.9265002 },\n            { nominal: 76, mass: 75.9288276 },\n            { nominal: 77, mass: 76.9291543 },\n            { nominal: 78, mass: 77.9316088 },\n            { nominal: 79, mass: 78.9328523 },\n            { nominal: 80, mass: 79.9364208 },\n            { nominal: 81, mass: 80.9381338 },\n            { nominal: 82, mass: 81.9431765 },\n            { nominal: 83, mass: 82.9471203 },\n            { nominal: 84, mass: 83.95246 },\n            { nominal: 85, mass: 84.95699 },\n            { nominal: 86, mass: 85.96301 },\n            { nominal: 87, mass: 86.96824 },\n        ],\n        symbol: 'Ga',\n        mass: 69.7230660725936,\n        name: 'Gallium',\n        monoisotopicMass: 68.9255735,\n    },\n    {\n        number: 32,\n        isotopes: [\n            { nominal: 58, mass: 57.99172 },\n            { nominal: 59, mass: 58.98249 },\n            { nominal: 60, mass: 59.97036 },\n            { nominal: 61, mass: 60.96379 },\n            { nominal: 62, mass: 61.95502 },\n            { nominal: 63, mass: 62.949628 },\n            { nominal: 64, mass: 63.9416899 },\n            { nominal: 65, mass: 64.9393681 },\n            { nominal: 66, mass: 65.9338621 },\n            { nominal: 67, mass: 66.9327339 },\n            { nominal: 68, mass: 67.9280953 },\n            { nominal: 69, mass: 68.9279645 },\n            { nominal: 70, mass: 69.92424875, abundance: 0.2057 },\n            { nominal: 71, mass: 70.92495233 },\n            { nominal: 72, mass: 71.922075826, abundance: 0.2745 },\n            { nominal: 73, mass: 72.923458956, abundance: 0.0775 },\n            { nominal: 74, mass: 73.921177761, abundance: 0.365 },\n            { nominal: 75, mass: 74.92285837 },\n            { nominal: 76, mass: 75.921402726, abundance: 0.0773 },\n            { nominal: 77, mass: 76.923549843 },\n            { nominal: 78, mass: 77.9228529 },\n            { nominal: 79, mass: 78.92536 },\n            { nominal: 80, mass: 79.9253508 },\n            { nominal: 81, mass: 80.9288329 },\n            { nominal: 82, mass: 81.929774 },\n            { nominal: 83, mass: 82.9345391 },\n            { nominal: 84, mass: 83.9375751 },\n            { nominal: 85, mass: 84.9429697 },\n            { nominal: 86, mass: 85.94658 },\n            { nominal: 87, mass: 86.95268 },\n            { nominal: 88, mass: 87.95691 },\n            { nominal: 89, mass: 88.96379 },\n            { nominal: 90, mass: 89.96863 },\n        ],\n        symbol: 'Ge',\n        mass: 72.6275501646868,\n        name: 'Germanium',\n        monoisotopicMass: 73.921177761,\n    },\n    {\n        number: 33,\n        isotopes: [\n            { nominal: 60, mass: 59.99388 },\n            { nominal: 61, mass: 60.98112 },\n            { nominal: 62, mass: 61.97361 },\n            { nominal: 63, mass: 62.9639 },\n            { nominal: 64, mass: 63.95743 },\n            { nominal: 65, mass: 64.949611 },\n            { nominal: 66, mass: 65.9441488 },\n            { nominal: 67, mass: 66.93925111 },\n            { nominal: 68, mass: 67.9367741 },\n            { nominal: 69, mass: 68.932246 },\n            { nominal: 70, mass: 69.930926 },\n            { nominal: 71, mass: 70.9271138 },\n            { nominal: 72, mass: 71.9267523 },\n            { nominal: 73, mass: 72.9238291 },\n            { nominal: 74, mass: 73.9239286 },\n            { nominal: 75, mass: 74.92159457, abundance: 1 },\n            { nominal: 76, mass: 75.92239202 },\n            { nominal: 77, mass: 76.9206476 },\n            { nominal: 78, mass: 77.921828 },\n            { nominal: 79, mass: 78.9209484 },\n            { nominal: 80, mass: 79.9224746 },\n            { nominal: 81, mass: 80.9221323 },\n            { nominal: 82, mass: 81.9247412 },\n            { nominal: 83, mass: 82.9252069 },\n            { nominal: 84, mass: 83.9293033 },\n            { nominal: 85, mass: 84.9321637 },\n            { nominal: 86, mass: 85.9367015 },\n            { nominal: 87, mass: 86.9402917 },\n            { nominal: 88, mass: 87.94555 },\n            { nominal: 89, mass: 88.94976 },\n            { nominal: 90, mass: 89.95563 },\n            { nominal: 91, mass: 90.96039 },\n            { nominal: 92, mass: 91.96674 },\n        ],\n        symbol: 'As',\n        mass: 74.92159457,\n        name: 'Arsenic',\n        monoisotopicMass: 74.92159457,\n    },\n    {\n        number: 34,\n        isotopes: [\n            { nominal: 64, mass: 63.97109 },\n            { nominal: 65, mass: 64.9644 },\n            { nominal: 66, mass: 65.95559 },\n            { nominal: 67, mass: 66.949994 },\n            { nominal: 68, mass: 67.94182524 },\n            { nominal: 69, mass: 68.9394148 },\n            { nominal: 70, mass: 69.9335155 },\n            { nominal: 71, mass: 70.9322094 },\n            { nominal: 72, mass: 71.9271405 },\n            { nominal: 73, mass: 72.9267549 },\n            { nominal: 74, mass: 73.922475934, abundance: 0.0089 },\n            { nominal: 75, mass: 74.92252287 },\n            { nominal: 76, mass: 75.919213704, abundance: 0.0937 },\n            { nominal: 77, mass: 76.919914154, abundance: 0.0763 },\n            { nominal: 78, mass: 77.91730928, abundance: 0.2377 },\n            { nominal: 79, mass: 78.91849929 },\n            { nominal: 80, mass: 79.9165218, abundance: 0.4961 },\n            { nominal: 81, mass: 80.917993 },\n            { nominal: 82, mass: 81.9166995, abundance: 0.0873 },\n            { nominal: 83, mass: 82.9191186 },\n            { nominal: 84, mass: 83.9184668 },\n            { nominal: 85, mass: 84.9222608 },\n            { nominal: 86, mass: 85.9243117 },\n            { nominal: 87, mass: 86.9286886 },\n            { nominal: 88, mass: 87.9314175 },\n            { nominal: 89, mass: 88.9366691 },\n            { nominal: 90, mass: 89.9401 },\n            { nominal: 91, mass: 90.94596 },\n            { nominal: 92, mass: 91.94984 },\n            { nominal: 93, mass: 92.95629 },\n            { nominal: 94, mass: 93.96049 },\n            { nominal: 95, mass: 94.9673 },\n        ],\n        symbol: 'Se',\n        mass: 78.95938855701361,\n        name: 'Selenium',\n        monoisotopicMass: 79.9165218,\n    },\n    {\n        number: 35,\n        isotopes: [\n            { nominal: 67, mass: 66.96465 },\n            { nominal: 68, mass: 67.95873 },\n            { nominal: 69, mass: 68.950497 },\n            { nominal: 70, mass: 69.944792 },\n            { nominal: 71, mass: 70.9393422 },\n            { nominal: 72, mass: 71.9365886 },\n            { nominal: 73, mass: 72.9316715 },\n            { nominal: 74, mass: 73.9299102 },\n            { nominal: 75, mass: 74.9258105 },\n            { nominal: 76, mass: 75.924542 },\n            { nominal: 77, mass: 76.9213792 },\n            { nominal: 78, mass: 77.9211459 },\n            { nominal: 79, mass: 78.9183376, abundance: 0.5069 },\n            { nominal: 80, mass: 79.9185298 },\n            { nominal: 81, mass: 80.9162897, abundance: 0.4931 },\n            { nominal: 82, mass: 81.9168032 },\n            { nominal: 83, mass: 82.9151756 },\n            { nominal: 84, mass: 83.916496 },\n            { nominal: 85, mass: 84.9156458 },\n            { nominal: 86, mass: 85.9188054 },\n            { nominal: 87, mass: 86.920674 },\n            { nominal: 88, mass: 87.9240833 },\n            { nominal: 89, mass: 88.9267046 },\n            { nominal: 90, mass: 89.9312928 },\n            { nominal: 91, mass: 90.9343986 },\n            { nominal: 92, mass: 91.9396316 },\n            { nominal: 93, mass: 92.94313 },\n            { nominal: 94, mass: 93.9489 },\n            { nominal: 95, mass: 94.95301 },\n            { nominal: 96, mass: 95.95903 },\n            { nominal: 97, mass: 96.96344 },\n            { nominal: 98, mass: 97.96946 },\n        ],\n        symbol: 'Br',\n        mass: 79.90352778050999,\n        name: 'Bromine',\n        monoisotopicMass: 78.9183376,\n    },\n    {\n        number: 36,\n        isotopes: [\n            { nominal: 69, mass: 68.96518 },\n            { nominal: 70, mass: 69.95604 },\n            { nominal: 71, mass: 70.95027 },\n            { nominal: 72, mass: 71.9420924 },\n            { nominal: 73, mass: 72.9392892 },\n            { nominal: 74, mass: 73.933084 },\n            { nominal: 75, mass: 74.9309457 },\n            { nominal: 76, mass: 75.9259103 },\n            { nominal: 77, mass: 76.92467 },\n            { nominal: 78, mass: 77.92036494, abundance: 0.00355 },\n            { nominal: 79, mass: 78.9200829 },\n            { nominal: 80, mass: 79.91637808, abundance: 0.02286 },\n            { nominal: 81, mass: 80.9165912 },\n            { nominal: 82, mass: 81.91348273, abundance: 0.11593 },\n            { nominal: 83, mass: 82.91412716, abundance: 0.115 },\n            { nominal: 84, mass: 83.9114977282, abundance: 0.56987 },\n            { nominal: 85, mass: 84.9125273 },\n            { nominal: 86, mass: 85.9106106269, abundance: 0.17279 },\n            { nominal: 87, mass: 86.91335476 },\n            { nominal: 88, mass: 87.9144479 },\n            { nominal: 89, mass: 88.9178355 },\n            { nominal: 90, mass: 89.9195279 },\n            { nominal: 91, mass: 90.9238063 },\n            { nominal: 92, mass: 91.9261731 },\n            { nominal: 93, mass: 92.9311472 },\n            { nominal: 94, mass: 93.93414 },\n            { nominal: 95, mass: 94.939711 },\n            { nominal: 96, mass: 95.943017 },\n            { nominal: 97, mass: 96.94909 },\n            { nominal: 98, mass: 97.95243 },\n            { nominal: 99, mass: 98.95839 },\n            { nominal: 100, mass: 99.96237 },\n            { nominal: 101, mass: 100.96873 },\n        ],\n        symbol: 'Kr',\n        mass: 83.7979999953261,\n        name: 'Krypton',\n        monoisotopicMass: 83.9114977282,\n    },\n    {\n        number: 37,\n        isotopes: [\n            { nominal: 71, mass: 70.96532 },\n            { nominal: 72, mass: 71.95908 },\n            { nominal: 73, mass: 72.95053 },\n            { nominal: 74, mass: 73.9442659 },\n            { nominal: 75, mass: 74.9385732 },\n            { nominal: 76, mass: 75.935073 },\n            { nominal: 77, mass: 76.9304016 },\n            { nominal: 78, mass: 77.9281419 },\n            { nominal: 79, mass: 78.9239899 },\n            { nominal: 80, mass: 79.9225164 },\n            { nominal: 81, mass: 80.9189939 },\n            { nominal: 82, mass: 81.918209 },\n            { nominal: 83, mass: 82.9151142 },\n            { nominal: 84, mass: 83.9143752 },\n            { nominal: 85, mass: 84.9117897379, abundance: 0.7217 },\n            { nominal: 86, mass: 85.91116743 },\n            { nominal: 87, mass: 86.909180531, abundance: 0.2783 },\n            { nominal: 88, mass: 87.91131559 },\n            { nominal: 89, mass: 88.9122783 },\n            { nominal: 90, mass: 89.9147985 },\n            { nominal: 91, mass: 90.9165372 },\n            { nominal: 92, mass: 91.9197284 },\n            { nominal: 93, mass: 92.9220393 },\n            { nominal: 94, mass: 93.9263948 },\n            { nominal: 95, mass: 94.92926 },\n            { nominal: 96, mass: 95.9341334 },\n            { nominal: 97, mass: 96.9371771 },\n            { nominal: 98, mass: 97.9416869 },\n            { nominal: 99, mass: 98.94503 },\n            { nominal: 100, mass: 99.95003 },\n            { nominal: 101, mass: 100.95404 },\n            { nominal: 102, mass: 101.95952 },\n            { nominal: 103, mass: 102.96392 },\n        ],\n        symbol: 'Rb',\n        mass: 85.46766359561973,\n        name: 'Rubidium',\n        monoisotopicMass: 84.9117897379,\n    },\n    {\n        number: 38,\n        isotopes: [\n            { nominal: 73, mass: 72.9657 },\n            { nominal: 74, mass: 73.95617 },\n            { nominal: 75, mass: 74.94995 },\n            { nominal: 76, mass: 75.941763 },\n            { nominal: 77, mass: 76.9379455 },\n            { nominal: 78, mass: 77.93218 },\n            { nominal: 79, mass: 78.9297077 },\n            { nominal: 80, mass: 79.9245175 },\n            { nominal: 81, mass: 80.9232114 },\n            { nominal: 82, mass: 81.9183999 },\n            { nominal: 83, mass: 82.9175544 },\n            { nominal: 84, mass: 83.9134191, abundance: 0.0056 },\n            { nominal: 85, mass: 84.912932 },\n            { nominal: 86, mass: 85.9092606, abundance: 0.0986 },\n            { nominal: 87, mass: 86.9088775, abundance: 0.07 },\n            { nominal: 88, mass: 87.9056125, abundance: 0.8258 },\n            { nominal: 89, mass: 88.9074511 },\n            { nominal: 90, mass: 89.90773 },\n            { nominal: 91, mass: 90.9101954 },\n            { nominal: 92, mass: 91.9110382 },\n            { nominal: 93, mass: 92.9140242 },\n            { nominal: 94, mass: 93.9153556 },\n            { nominal: 95, mass: 94.9193529 },\n            { nominal: 96, mass: 95.9217066 },\n            { nominal: 97, mass: 96.926374 },\n            { nominal: 98, mass: 97.9286888 },\n            { nominal: 99, mass: 98.9328907 },\n            { nominal: 100, mass: 99.93577 },\n            { nominal: 101, mass: 100.940352 },\n            { nominal: 102, mass: 101.943791 },\n            { nominal: 103, mass: 102.94909 },\n            { nominal: 104, mass: 103.95265 },\n            { nominal: 105, mass: 104.95855 },\n            { nominal: 106, mass: 105.96265 },\n            { nominal: 107, mass: 106.96897 },\n        ],\n        symbol: 'Sr',\n        mass: 87.61664446962,\n        name: 'Strontium',\n        monoisotopicMass: 87.9056125,\n    },\n    {\n        number: 39,\n        isotopes: [\n            { nominal: 76, mass: 75.95856 },\n            { nominal: 77, mass: 76.949781 },\n            { nominal: 78, mass: 77.94361 },\n            { nominal: 79, mass: 78.93735 },\n            { nominal: 80, mass: 79.9343561 },\n            { nominal: 81, mass: 80.9294556 },\n            { nominal: 82, mass: 81.9269314 },\n            { nominal: 83, mass: 82.922485 },\n            { nominal: 84, mass: 83.9206721 },\n            { nominal: 85, mass: 84.916433 },\n            { nominal: 86, mass: 85.914886 },\n            { nominal: 87, mass: 86.9108761 },\n            { nominal: 88, mass: 87.9095016 },\n            { nominal: 89, mass: 88.9058403, abundance: 1 },\n            { nominal: 90, mass: 89.9071439 },\n            { nominal: 91, mass: 90.9072974 },\n            { nominal: 92, mass: 91.9089451 },\n            { nominal: 93, mass: 92.909578 },\n            { nominal: 94, mass: 93.9115906 },\n            { nominal: 95, mass: 94.9128161 },\n            { nominal: 96, mass: 95.9158968 },\n            { nominal: 97, mass: 96.9182741 },\n            { nominal: 98, mass: 97.9223821 },\n            { nominal: 99, mass: 98.924148 },\n            { nominal: 100, mass: 99.927715 },\n            { nominal: 101, mass: 100.9301477 },\n            { nominal: 102, mass: 101.9343277 },\n            { nominal: 103, mass: 102.937243 },\n            { nominal: 104, mass: 103.94196 },\n            { nominal: 105, mass: 104.94544 },\n            { nominal: 106, mass: 105.95056 },\n            { nominal: 107, mass: 106.95452 },\n            { nominal: 108, mass: 107.95996 },\n            { nominal: 109, mass: 108.96436 },\n        ],\n        symbol: 'Y',\n        mass: 88.9058403,\n        name: 'Yttrium',\n        monoisotopicMass: 88.9058403,\n    },\n    {\n        number: 40,\n        isotopes: [\n            { nominal: 78, mass: 77.95566 },\n            { nominal: 79, mass: 78.94948 },\n            { nominal: 80, mass: 79.9404 },\n            { nominal: 81, mass: 80.93731 },\n            { nominal: 82, mass: 81.93135 },\n            { nominal: 83, mass: 82.9292421 },\n            { nominal: 84, mass: 83.9233269 },\n            { nominal: 85, mass: 84.9214444 },\n            { nominal: 86, mass: 85.9162972 },\n            { nominal: 87, mass: 86.914818 },\n            { nominal: 88, mass: 87.9102213 },\n            { nominal: 89, mass: 88.9088814 },\n            { nominal: 90, mass: 89.9046977, abundance: 0.5145 },\n            { nominal: 91, mass: 90.9056396, abundance: 0.1122 },\n            { nominal: 92, mass: 91.9050347, abundance: 0.1715 },\n            { nominal: 93, mass: 92.9064699 },\n            { nominal: 94, mass: 93.9063108, abundance: 0.1738 },\n            { nominal: 95, mass: 94.9080385 },\n            { nominal: 96, mass: 95.9082714, abundance: 0.028 },\n            { nominal: 97, mass: 96.9109512 },\n            { nominal: 98, mass: 97.9127289 },\n            { nominal: 99, mass: 98.916667 },\n            { nominal: 100, mass: 99.9180006 },\n            { nominal: 101, mass: 100.921448 },\n            { nominal: 102, mass: 101.9231409 },\n            { nominal: 103, mass: 102.927191 },\n            { nominal: 104, mass: 103.929436 },\n            { nominal: 105, mass: 104.934008 },\n            { nominal: 106, mass: 105.93676 },\n            { nominal: 107, mass: 106.94174 },\n            { nominal: 108, mass: 107.94487 },\n            { nominal: 109, mass: 108.95041 },\n            { nominal: 110, mass: 109.95396 },\n            { nominal: 111, mass: 110.95968 },\n            { nominal: 112, mass: 111.9637 },\n        ],\n        symbol: 'Zr',\n        mass: 91.22364159706,\n        name: 'Zirconium',\n        monoisotopicMass: 89.9046977,\n    },\n    {\n        number: 41,\n        isotopes: [\n            { nominal: 81, mass: 80.9496 },\n            { nominal: 82, mass: 81.94396 },\n            { nominal: 83, mass: 82.93729 },\n            { nominal: 84, mass: 83.93449 },\n            { nominal: 85, mass: 84.9288458 },\n            { nominal: 86, mass: 85.9257828 },\n            { nominal: 87, mass: 86.9206937 },\n            { nominal: 88, mass: 87.918222 },\n            { nominal: 89, mass: 88.913445 },\n            { nominal: 90, mass: 89.9112584 },\n            { nominal: 91, mass: 90.9069897 },\n            { nominal: 92, mass: 91.9071881 },\n            { nominal: 93, mass: 92.906373, abundance: 1 },\n            { nominal: 94, mass: 93.9072788 },\n            { nominal: 95, mass: 94.9068324 },\n            { nominal: 96, mass: 95.9080973 },\n            { nominal: 97, mass: 96.9080959 },\n            { nominal: 98, mass: 97.9103265 },\n            { nominal: 99, mass: 98.911613 },\n            { nominal: 100, mass: 99.9143276 },\n            { nominal: 101, mass: 100.9153103 },\n            { nominal: 102, mass: 101.9180772 },\n            { nominal: 103, mass: 102.9194572 },\n            { nominal: 104, mass: 103.9228925 },\n            { nominal: 105, mass: 104.9249465 },\n            { nominal: 106, mass: 105.9289317 },\n            { nominal: 107, mass: 106.9315937 },\n            { nominal: 108, mass: 107.9360748 },\n            { nominal: 109, mass: 108.93922 },\n            { nominal: 110, mass: 109.94403 },\n            { nominal: 111, mass: 110.94753 },\n            { nominal: 112, mass: 111.95247 },\n            { nominal: 113, mass: 112.95651 },\n            { nominal: 114, mass: 113.96201 },\n            { nominal: 115, mass: 114.96634 },\n        ],\n        symbol: 'Nb',\n        mass: 92.906373,\n        name: 'Niobium',\n        monoisotopicMass: 92.906373,\n    },\n    {\n        number: 42,\n        isotopes: [\n            { nominal: 83, mass: 82.94988 },\n            { nominal: 84, mass: 83.94149 },\n            { nominal: 85, mass: 84.938261 },\n            { nominal: 86, mass: 85.9311748 },\n            { nominal: 87, mass: 86.9281962 },\n            { nominal: 88, mass: 87.9219678 },\n            { nominal: 89, mass: 88.9194682 },\n            { nominal: 90, mass: 89.9139309 },\n            { nominal: 91, mass: 90.9117453 },\n            { nominal: 92, mass: 91.90680796, abundance: 0.1453 },\n            { nominal: 93, mass: 92.90680958 },\n            { nominal: 94, mass: 93.9050849, abundance: 0.0915 },\n            { nominal: 95, mass: 94.90583877, abundance: 0.1584 },\n            { nominal: 96, mass: 95.90467612, abundance: 0.1667 },\n            { nominal: 97, mass: 96.90601812, abundance: 0.096 },\n            { nominal: 98, mass: 97.90540482, abundance: 0.2439 },\n            { nominal: 99, mass: 98.90770851 },\n            { nominal: 100, mass: 99.9074718, abundance: 0.0982 },\n            { nominal: 101, mass: 100.9103414 },\n            { nominal: 102, mass: 101.9102834 },\n            { nominal: 103, mass: 102.913079 },\n            { nominal: 104, mass: 103.9137344 },\n            { nominal: 105, mass: 104.916969 },\n            { nominal: 106, mass: 105.918259 },\n            { nominal: 107, mass: 106.922106 },\n            { nominal: 108, mass: 107.924033 },\n            { nominal: 109, mass: 108.928424 },\n            { nominal: 110, mass: 109.930704 },\n            { nominal: 111, mass: 110.935654 },\n            { nominal: 112, mass: 111.93831 },\n            { nominal: 113, mass: 112.94335 },\n            { nominal: 114, mass: 113.94653 },\n            { nominal: 115, mass: 114.95196 },\n            { nominal: 116, mass: 115.95545 },\n            { nominal: 117, mass: 116.96117 },\n        ],\n        symbol: 'Mo',\n        mass: 95.959788541188,\n        name: 'Molybdenum',\n        monoisotopicMass: 97.90540482,\n    },\n    {\n        number: 43,\n        isotopes: [\n            { nominal: 85, mass: 84.95058 },\n            { nominal: 86, mass: 85.94493 },\n            { nominal: 87, mass: 86.9380672 },\n            { nominal: 88, mass: 87.93378 },\n            { nominal: 89, mass: 88.9276487 },\n            { nominal: 90, mass: 89.9240739 },\n            { nominal: 91, mass: 90.9184254 },\n            { nominal: 92, mass: 91.9152698 },\n            { nominal: 93, mass: 92.910246 },\n            { nominal: 94, mass: 93.9096536 },\n            { nominal: 95, mass: 94.9076536 },\n            { nominal: 96, mass: 95.907868 },\n            { nominal: 97, mass: 96.9063667 },\n            { nominal: 98, mass: 97.9072124 },\n            { nominal: 99, mass: 98.9062508 },\n            { nominal: 100, mass: 99.9076539 },\n            { nominal: 101, mass: 100.907309 },\n            { nominal: 102, mass: 101.9092097 },\n            { nominal: 103, mass: 102.909176 },\n            { nominal: 104, mass: 103.911425 },\n            { nominal: 105, mass: 104.911655 },\n            { nominal: 106, mass: 105.914358 },\n            { nominal: 107, mass: 106.9154606 },\n            { nominal: 108, mass: 107.9184957 },\n            { nominal: 109, mass: 108.920256 },\n            { nominal: 110, mass: 109.923744 },\n            { nominal: 111, mass: 110.925901 },\n            { nominal: 112, mass: 111.9299458 },\n            { nominal: 113, mass: 112.932569 },\n            { nominal: 114, mass: 113.93691 },\n            { nominal: 115, mass: 114.93998 },\n            { nominal: 116, mass: 115.94476 },\n            { nominal: 117, mass: 116.94806 },\n            { nominal: 118, mass: 117.95299 },\n            { nominal: 119, mass: 118.95666 },\n            { nominal: 120, mass: 119.96187 },\n        ],\n        symbol: 'Tc',\n        mass: null,\n        name: 'Technetium',\n    },\n    {\n        number: 44,\n        isotopes: [\n            { nominal: 87, mass: 86.95069 },\n            { nominal: 88, mass: 87.9416 },\n            { nominal: 89, mass: 88.93762 },\n            { nominal: 90, mass: 89.9303444 },\n            { nominal: 91, mass: 90.9267419 },\n            { nominal: 92, mass: 91.9202344 },\n            { nominal: 93, mass: 92.9171044 },\n            { nominal: 94, mass: 93.9113429 },\n            { nominal: 95, mass: 94.910406 },\n            { nominal: 96, mass: 95.90759025, abundance: 0.0554 },\n            { nominal: 97, mass: 96.9075471 },\n            { nominal: 98, mass: 97.9052868, abundance: 0.0187 },\n            { nominal: 99, mass: 98.9059341, abundance: 0.1276 },\n            { nominal: 100, mass: 99.9042143, abundance: 0.126 },\n            { nominal: 101, mass: 100.9055769, abundance: 0.1706 },\n            { nominal: 102, mass: 101.9043441, abundance: 0.3155 },\n            { nominal: 103, mass: 102.9063186 },\n            { nominal: 104, mass: 103.9054275, abundance: 0.1862 },\n            { nominal: 105, mass: 104.9077476 },\n            { nominal: 106, mass: 105.9073291 },\n            { nominal: 107, mass: 106.909972 },\n            { nominal: 108, mass: 107.910188 },\n            { nominal: 109, mass: 108.913326 },\n            { nominal: 110, mass: 109.9140407 },\n            { nominal: 111, mass: 110.91757 },\n            { nominal: 112, mass: 111.918809 },\n            { nominal: 113, mass: 112.922844 },\n            { nominal: 114, mass: 113.9246136 },\n            { nominal: 115, mass: 114.92882 },\n            { nominal: 116, mass: 115.9312192 },\n            { nominal: 117, mass: 116.9361 },\n            { nominal: 118, mass: 117.93853 },\n            { nominal: 119, mass: 118.94357 },\n            { nominal: 120, mass: 119.94631 },\n            { nominal: 121, mass: 120.95164 },\n            { nominal: 122, mass: 121.95447 },\n            { nominal: 123, mass: 122.95989 },\n            { nominal: 124, mass: 123.96305 },\n        ],\n        symbol: 'Ru',\n        mass: 101.06494013916,\n        name: 'Ruthenium',\n        monoisotopicMass: 101.9043441,\n    },\n    {\n        number: 45,\n        isotopes: [\n            { nominal: 89, mass: 88.95058 },\n            { nominal: 90, mass: 89.94422 },\n            { nominal: 91, mass: 90.93688 },\n            { nominal: 92, mass: 91.9323677 },\n            { nominal: 93, mass: 92.9259128 },\n            { nominal: 94, mass: 93.9217305 },\n            { nominal: 95, mass: 94.9158979 },\n            { nominal: 96, mass: 95.914453 },\n            { nominal: 97, mass: 96.911329 },\n            { nominal: 98, mass: 97.910708 },\n            { nominal: 99, mass: 98.9081282 },\n            { nominal: 100, mass: 99.908117 },\n            { nominal: 101, mass: 100.9061606 },\n            { nominal: 102, mass: 101.9068374 },\n            { nominal: 103, mass: 102.905498, abundance: 1 },\n            { nominal: 104, mass: 103.9066492 },\n            { nominal: 105, mass: 104.9056885 },\n            { nominal: 106, mass: 105.9072868 },\n            { nominal: 107, mass: 106.906748 },\n            { nominal: 108, mass: 107.908714 },\n            { nominal: 109, mass: 108.9087488 },\n            { nominal: 110, mass: 109.911079 },\n            { nominal: 111, mass: 110.9116423 },\n            { nominal: 112, mass: 111.914403 },\n            { nominal: 113, mass: 112.9154393 },\n            { nominal: 114, mass: 113.918718 },\n            { nominal: 115, mass: 114.9203116 },\n            { nominal: 116, mass: 115.924059 },\n            { nominal: 117, mass: 116.9260354 },\n            { nominal: 118, mass: 117.93034 },\n            { nominal: 119, mass: 118.932557 },\n            { nominal: 120, mass: 119.93686 },\n            { nominal: 121, mass: 120.93942 },\n            { nominal: 122, mass: 121.94399 },\n            { nominal: 123, mass: 122.94685 },\n            { nominal: 124, mass: 123.95151 },\n            { nominal: 125, mass: 124.95469 },\n            { nominal: 126, mass: 125.95946 },\n        ],\n        symbol: 'Rh',\n        mass: 102.905498,\n        name: 'Rhodium',\n        monoisotopicMass: 102.905498,\n    },\n    {\n        number: 46,\n        isotopes: [\n            { nominal: 91, mass: 90.95032 },\n            { nominal: 92, mass: 91.94088 },\n            { nominal: 93, mass: 92.93651 },\n            { nominal: 94, mass: 93.9290376 },\n            { nominal: 95, mass: 94.9248898 },\n            { nominal: 96, mass: 95.9182151 },\n            { nominal: 97, mass: 96.916472 },\n            { nominal: 98, mass: 97.9126983 },\n            { nominal: 99, mass: 98.9117748 },\n            { nominal: 100, mass: 99.908505 },\n            { nominal: 101, mass: 100.9082864 },\n            { nominal: 102, mass: 101.9056022, abundance: 0.0102 },\n            { nominal: 103, mass: 102.9060809 },\n            { nominal: 104, mass: 103.9040305, abundance: 0.1114 },\n            { nominal: 105, mass: 104.9050796, abundance: 0.2233 },\n            { nominal: 106, mass: 105.9034804, abundance: 0.2733 },\n            { nominal: 107, mass: 106.9051282 },\n            { nominal: 108, mass: 107.9038916, abundance: 0.2646 },\n            { nominal: 109, mass: 108.9059504 },\n            { nominal: 110, mass: 109.9051722, abundance: 0.1172 },\n            { nominal: 111, mass: 110.90768968 },\n            { nominal: 112, mass: 111.9073297 },\n            { nominal: 113, mass: 112.910261 },\n            { nominal: 114, mass: 113.9103686 },\n            { nominal: 115, mass: 114.913659 },\n            { nominal: 116, mass: 115.914297 },\n            { nominal: 117, mass: 116.9179547 },\n            { nominal: 118, mass: 117.9190667 },\n            { nominal: 119, mass: 118.9233402 },\n            { nominal: 120, mass: 119.9245511 },\n            { nominal: 121, mass: 120.9289503 },\n            { nominal: 122, mass: 121.930632 },\n            { nominal: 123, mass: 122.93514 },\n            { nominal: 124, mass: 123.93714 },\n            { nominal: 125, mass: 124.94179 },\n            { nominal: 126, mass: 125.94416 },\n            { nominal: 127, mass: 126.94907 },\n            { nominal: 128, mass: 127.95183 },\n        ],\n        symbol: 'Pd',\n        mass: 106.41532750734,\n        name: 'Palladium',\n        monoisotopicMass: 105.9034804,\n    },\n    {\n        number: 47,\n        isotopes: [\n            { nominal: 93, mass: 92.95033 },\n            { nominal: 94, mass: 93.94373 },\n            { nominal: 95, mass: 94.93602 },\n            { nominal: 96, mass: 95.930744 },\n            { nominal: 97, mass: 96.92397 },\n            { nominal: 98, mass: 97.92156 },\n            { nominal: 99, mass: 98.9176458 },\n            { nominal: 100, mass: 99.9161154 },\n            { nominal: 101, mass: 100.912684 },\n            { nominal: 102, mass: 101.9117047 },\n            { nominal: 103, mass: 102.9089631 },\n            { nominal: 104, mass: 103.9086239 },\n            { nominal: 105, mass: 104.9065256 },\n            { nominal: 106, mass: 105.9066636 },\n            { nominal: 107, mass: 106.9050916, abundance: 0.51839 },\n            { nominal: 108, mass: 107.9059503 },\n            { nominal: 109, mass: 108.9047553, abundance: 0.48161 },\n            { nominal: 110, mass: 109.9061102 },\n            { nominal: 111, mass: 110.9052959 },\n            { nominal: 112, mass: 111.9070486 },\n            { nominal: 113, mass: 112.906573 },\n            { nominal: 114, mass: 113.908823 },\n            { nominal: 115, mass: 114.908767 },\n            { nominal: 116, mass: 115.9113868 },\n            { nominal: 117, mass: 116.911774 },\n            { nominal: 118, mass: 117.9145955 },\n            { nominal: 119, mass: 118.91557 },\n            { nominal: 120, mass: 119.9187848 },\n            { nominal: 121, mass: 120.920125 },\n            { nominal: 122, mass: 121.923664 },\n            { nominal: 123, mass: 122.925337 },\n            { nominal: 124, mass: 123.92893 },\n            { nominal: 125, mass: 124.93105 },\n            { nominal: 126, mass: 125.93475 },\n            { nominal: 127, mass: 126.93711 },\n            { nominal: 128, mass: 127.94106 },\n            { nominal: 129, mass: 128.94395 },\n            { nominal: 130, mass: 129.9507 },\n        ],\n        symbol: 'Ag',\n        mass: 107.868149634557,\n        name: 'Silver',\n        monoisotopicMass: 106.9050916,\n    },\n    {\n        number: 48,\n        isotopes: [\n            { nominal: 95, mass: 94.94994 },\n            { nominal: 96, mass: 95.94034 },\n            { nominal: 97, mass: 96.9351 },\n            { nominal: 98, mass: 97.927389 },\n            { nominal: 99, mass: 98.9249258 },\n            { nominal: 100, mass: 99.9203488 },\n            { nominal: 101, mass: 100.9185862 },\n            { nominal: 102, mass: 101.914482 },\n            { nominal: 103, mass: 102.9134165 },\n            { nominal: 104, mass: 103.9098564 },\n            { nominal: 105, mass: 104.9094639 },\n            { nominal: 106, mass: 105.9064599, abundance: 0.0125 },\n            { nominal: 107, mass: 106.9066121 },\n            { nominal: 108, mass: 107.9041834, abundance: 0.0089 },\n            { nominal: 109, mass: 108.9049867 },\n            { nominal: 110, mass: 109.90300661, abundance: 0.1249 },\n            { nominal: 111, mass: 110.90418287, abundance: 0.128 },\n            { nominal: 112, mass: 111.90276287, abundance: 0.2413 },\n            { nominal: 113, mass: 112.90440813, abundance: 0.1222 },\n            { nominal: 114, mass: 113.90336509, abundance: 0.2873 },\n            { nominal: 115, mass: 114.90543751 },\n            { nominal: 116, mass: 115.90476315, abundance: 0.0749 },\n            { nominal: 117, mass: 116.907226 },\n            { nominal: 118, mass: 117.906922 },\n            { nominal: 119, mass: 118.909847 },\n            { nominal: 120, mass: 119.9098681 },\n            { nominal: 121, mass: 120.9129637 },\n            { nominal: 122, mass: 121.9134591 },\n            { nominal: 123, mass: 122.9168925 },\n            { nominal: 124, mass: 123.9176574 },\n            { nominal: 125, mass: 124.9212576 },\n            { nominal: 126, mass: 125.9224291 },\n            { nominal: 127, mass: 126.926472 },\n            { nominal: 128, mass: 127.9278129 },\n            { nominal: 129, mass: 128.93182 },\n            { nominal: 130, mass: 129.93394 },\n            { nominal: 131, mass: 130.9406 },\n            { nominal: 132, mass: 131.94604 },\n            { nominal: 133, mass: 132.95285 },\n        ],\n        symbol: 'Cd',\n        mass: 112.411557818268,\n        name: 'Cadmium',\n        monoisotopicMass: 113.90336509,\n    },\n    {\n        number: 49,\n        isotopes: [\n            { nominal: 97, mass: 96.94934 },\n            { nominal: 98, mass: 97.94214 },\n            { nominal: 99, mass: 98.93411 },\n            { nominal: 100, mass: 99.93096 },\n            { nominal: 101, mass: 100.92634 },\n            { nominal: 102, mass: 101.9241071 },\n            { nominal: 103, mass: 102.9198819 },\n            { nominal: 104, mass: 103.9182145 },\n            { nominal: 105, mass: 104.914502 },\n            { nominal: 106, mass: 105.913464 },\n            { nominal: 107, mass: 106.91029 },\n            { nominal: 108, mass: 107.9096935 },\n            { nominal: 109, mass: 108.9071514 },\n            { nominal: 110, mass: 109.90717 },\n            { nominal: 111, mass: 110.9051085 },\n            { nominal: 112, mass: 111.9055377 },\n            { nominal: 113, mass: 112.90406184, abundance: 0.0429 },\n            { nominal: 114, mass: 113.90491791 },\n            { nominal: 115, mass: 114.903878776, abundance: 0.9571 },\n            { nominal: 116, mass: 115.90525999 },\n            { nominal: 117, mass: 116.9045157 },\n            { nominal: 118, mass: 117.9063566 },\n            { nominal: 119, mass: 118.9058507 },\n            { nominal: 120, mass: 119.907967 },\n            { nominal: 121, mass: 120.907851 },\n            { nominal: 122, mass: 121.910281 },\n            { nominal: 123, mass: 122.910434 },\n            { nominal: 124, mass: 123.913182 },\n            { nominal: 125, mass: 124.913605 },\n            { nominal: 126, mass: 125.916507 },\n            { nominal: 127, mass: 126.917446 },\n            { nominal: 128, mass: 127.9204 },\n            { nominal: 129, mass: 128.9218053 },\n            { nominal: 130, mass: 129.924977 },\n            { nominal: 131, mass: 130.9269715 },\n            { nominal: 132, mass: 131.933001 },\n            { nominal: 133, mass: 132.93831 },\n            { nominal: 134, mass: 133.94454 },\n            { nominal: 135, mass: 134.95005 },\n        ],\n        symbol: 'In',\n        mass: 114.81808662944559,\n        name: 'Indium',\n        monoisotopicMass: 114.903878776,\n    },\n    {\n        number: 50,\n        isotopes: [\n            { nominal: 99, mass: 98.94853 },\n            { nominal: 100, mass: 99.9385 },\n            { nominal: 101, mass: 100.93526 },\n            { nominal: 102, mass: 101.93029 },\n            { nominal: 103, mass: 102.928105 },\n            { nominal: 104, mass: 103.9231052 },\n            { nominal: 105, mass: 104.9212684 },\n            { nominal: 106, mass: 105.9169574 },\n            { nominal: 107, mass: 106.9157137 },\n            { nominal: 108, mass: 107.9118943 },\n            { nominal: 109, mass: 108.9112921 },\n            { nominal: 110, mass: 109.907845 },\n            { nominal: 111, mass: 110.9077401 },\n            { nominal: 112, mass: 111.90482387, abundance: 0.0097 },\n            { nominal: 113, mass: 112.9051757 },\n            { nominal: 114, mass: 113.9027827, abundance: 0.0066 },\n            { nominal: 115, mass: 114.903344699, abundance: 0.0034 },\n            { nominal: 116, mass: 115.9017428, abundance: 0.1454 },\n            { nominal: 117, mass: 116.90295398, abundance: 0.0768 },\n            { nominal: 118, mass: 117.90160657, abundance: 0.2422 },\n            { nominal: 119, mass: 118.90331117, abundance: 0.0859 },\n            { nominal: 120, mass: 119.90220163, abundance: 0.3258 },\n            { nominal: 121, mass: 120.9042426 },\n            { nominal: 122, mass: 121.9034438, abundance: 0.0463 },\n            { nominal: 123, mass: 122.9057252 },\n            { nominal: 124, mass: 123.9052766, abundance: 0.0579 },\n            { nominal: 125, mass: 124.9077864 },\n            { nominal: 126, mass: 125.907659 },\n            { nominal: 127, mass: 126.91039 },\n            { nominal: 128, mass: 127.910507 },\n            { nominal: 129, mass: 128.913465 },\n            { nominal: 130, mass: 129.9139738 },\n            { nominal: 131, mass: 130.917045 },\n            { nominal: 132, mass: 131.9178267 },\n            { nominal: 133, mass: 132.9239134 },\n            { nominal: 134, mass: 133.9286821 },\n            { nominal: 135, mass: 134.9349086 },\n            { nominal: 136, mass: 135.93999 },\n            { nominal: 137, mass: 136.94655 },\n            { nominal: 138, mass: 137.95184 },\n        ],\n        symbol: 'Sn',\n        mass: 118.71011259301059,\n        name: 'Tin',\n        monoisotopicMass: 119.90220163,\n    },\n    {\n        number: 51,\n        isotopes: [\n            { nominal: 103, mass: 102.93969 },\n            { nominal: 104, mass: 103.93648 },\n            { nominal: 105, mass: 104.931276 },\n            { nominal: 106, mass: 105.928638 },\n            { nominal: 107, mass: 106.9241506 },\n            { nominal: 108, mass: 107.9222267 },\n            { nominal: 109, mass: 108.9181411 },\n            { nominal: 110, mass: 109.9168543 },\n            { nominal: 111, mass: 110.9132182 },\n            { nominal: 112, mass: 111.9124 },\n            { nominal: 113, mass: 112.909375 },\n            { nominal: 114, mass: 113.90929 },\n            { nominal: 115, mass: 114.906598 },\n            { nominal: 116, mass: 115.9067931 },\n            { nominal: 117, mass: 116.9048415 },\n            { nominal: 118, mass: 117.9055321 },\n            { nominal: 119, mass: 118.9039455 },\n            { nominal: 120, mass: 119.9050794 },\n            { nominal: 121, mass: 120.903812, abundance: 0.5721 },\n            { nominal: 122, mass: 121.9051699 },\n            { nominal: 123, mass: 122.9042132, abundance: 0.4279 },\n            { nominal: 124, mass: 123.905935 },\n            { nominal: 125, mass: 124.905253 },\n            { nominal: 126, mass: 125.907253 },\n            { nominal: 127, mass: 126.9069243 },\n            { nominal: 128, mass: 127.909146 },\n            { nominal: 129, mass: 128.909147 },\n            { nominal: 130, mass: 129.911662 },\n            { nominal: 131, mass: 130.9119888 },\n            { nominal: 132, mass: 131.9145077 },\n            { nominal: 133, mass: 132.9152732 },\n            { nominal: 134, mass: 133.9205357 },\n            { nominal: 135, mass: 134.9251851 },\n            { nominal: 136, mass: 135.9307459 },\n            { nominal: 137, mass: 136.93555 },\n            { nominal: 138, mass: 137.94145 },\n            { nominal: 139, mass: 138.94655 },\n            { nominal: 140, mass: 139.95283 },\n        ],\n        symbol: 'Sb',\n        mass: 121.75978367348,\n        name: 'Antimony',\n        monoisotopicMass: 120.903812,\n    },\n    {\n        number: 52,\n        isotopes: [\n            { nominal: 105, mass: 104.9433 },\n            { nominal: 106, mass: 105.9375 },\n            { nominal: 107, mass: 106.935012 },\n            { nominal: 108, mass: 107.9293805 },\n            { nominal: 109, mass: 108.9273045 },\n            { nominal: 110, mass: 109.9224581 },\n            { nominal: 111, mass: 110.9210006 },\n            { nominal: 112, mass: 111.9167279 },\n            { nominal: 113, mass: 112.915891 },\n            { nominal: 114, mass: 113.912089 },\n            { nominal: 115, mass: 114.911902 },\n            { nominal: 116, mass: 115.90846 },\n            { nominal: 117, mass: 116.908646 },\n            { nominal: 118, mass: 117.905854 },\n            { nominal: 119, mass: 118.9064071 },\n            { nominal: 120, mass: 119.9040593, abundance: 0.0009 },\n            { nominal: 121, mass: 120.904944 },\n            { nominal: 122, mass: 121.9030435, abundance: 0.0255 },\n            { nominal: 123, mass: 122.9042698, abundance: 0.0089 },\n            { nominal: 124, mass: 123.9028171, abundance: 0.0474 },\n            { nominal: 125, mass: 124.9044299, abundance: 0.0707 },\n            { nominal: 126, mass: 125.9033109, abundance: 0.1884 },\n            { nominal: 127, mass: 126.9052257 },\n            { nominal: 128, mass: 127.90446128, abundance: 0.3174 },\n            { nominal: 129, mass: 128.90659646 },\n            { nominal: 130, mass: 129.906222748, abundance: 0.3408 },\n            { nominal: 131, mass: 130.908522213 },\n            { nominal: 132, mass: 131.9085467 },\n            { nominal: 133, mass: 132.9109688 },\n            { nominal: 134, mass: 133.911394 },\n            { nominal: 135, mass: 134.9165557 },\n            { nominal: 136, mass: 135.9201006 },\n            { nominal: 137, mass: 136.9255989 },\n            { nominal: 138, mass: 137.9294722 },\n            { nominal: 139, mass: 138.9353672 },\n            { nominal: 140, mass: 139.939499 },\n            { nominal: 141, mass: 140.9458 },\n            { nominal: 142, mass: 141.95022 },\n            { nominal: 143, mass: 142.95676 },\n        ],\n        symbol: 'Te',\n        mass: 127.6031264846604,\n        name: 'Tellurium',\n        monoisotopicMass: 129.906222748,\n    },\n    {\n        number: 53,\n        isotopes: [\n            { nominal: 107, mass: 106.94678 },\n            { nominal: 108, mass: 107.94348 },\n            { nominal: 109, mass: 108.9380853 },\n            { nominal: 110, mass: 109.935089 },\n            { nominal: 111, mass: 110.9302692 },\n            { nominal: 112, mass: 111.928005 },\n            { nominal: 113, mass: 112.9236501 },\n            { nominal: 114, mass: 113.92185 },\n            { nominal: 115, mass: 114.918048 },\n            { nominal: 116, mass: 115.91681 },\n            { nominal: 117, mass: 116.913648 },\n            { nominal: 118, mass: 117.913074 },\n            { nominal: 119, mass: 118.910074 },\n            { nominal: 120, mass: 119.910087 },\n            { nominal: 121, mass: 120.9074051 },\n            { nominal: 122, mass: 121.9075888 },\n            { nominal: 123, mass: 122.9055885 },\n            { nominal: 124, mass: 123.906209 },\n            { nominal: 125, mass: 124.9046294 },\n            { nominal: 126, mass: 125.9056233 },\n            { nominal: 127, mass: 126.9044719, abundance: 1 },\n            { nominal: 128, mass: 127.9058086 },\n            { nominal: 129, mass: 128.9049837 },\n            { nominal: 130, mass: 129.9066702 },\n            { nominal: 131, mass: 130.9061263 },\n            { nominal: 132, mass: 131.9079935 },\n            { nominal: 133, mass: 132.907797 },\n            { nominal: 134, mass: 133.9097588 },\n            { nominal: 135, mass: 134.9100488 },\n            { nominal: 136, mass: 135.914604 },\n            { nominal: 137, mass: 136.9180282 },\n            { nominal: 138, mass: 137.9227264 },\n            { nominal: 139, mass: 138.926506 },\n            { nominal: 140, mass: 139.93173 },\n            { nominal: 141, mass: 140.93569 },\n            { nominal: 142, mass: 141.9412 },\n            { nominal: 143, mass: 142.94565 },\n            { nominal: 144, mass: 143.95139 },\n            { nominal: 145, mass: 144.95605 },\n        ],\n        symbol: 'I',\n        mass: 126.9044719,\n        name: 'Iodine',\n        monoisotopicMass: 126.9044719,\n    },\n    {\n        number: 54,\n        isotopes: [\n            { nominal: 109, mass: 108.95043 },\n            { nominal: 110, mass: 109.94426 },\n            { nominal: 111, mass: 110.941607 },\n            { nominal: 112, mass: 111.935559 },\n            { nominal: 113, mass: 112.9332217 },\n            { nominal: 114, mass: 113.92798 },\n            { nominal: 115, mass: 114.926294 },\n            { nominal: 116, mass: 115.921581 },\n            { nominal: 117, mass: 116.920359 },\n            { nominal: 118, mass: 117.916179 },\n            { nominal: 119, mass: 118.915411 },\n            { nominal: 120, mass: 119.911784 },\n            { nominal: 121, mass: 120.911453 },\n            { nominal: 122, mass: 121.908368 },\n            { nominal: 123, mass: 122.908482 },\n            { nominal: 124, mass: 123.905892, abundance: 0.000952 },\n            { nominal: 125, mass: 124.9063944 },\n            { nominal: 126, mass: 125.9042983, abundance: 0.00089 },\n            { nominal: 127, mass: 126.9051829 },\n            { nominal: 128, mass: 127.903531, abundance: 0.019102 },\n            { nominal: 129, mass: 128.9047808611, abundance: 0.264006 },\n            { nominal: 130, mass: 129.903509349, abundance: 0.04071 },\n            { nominal: 131, mass: 130.90508406, abundance: 0.212324 },\n            { nominal: 132, mass: 131.9041550856, abundance: 0.269086 },\n            { nominal: 133, mass: 132.9059108 },\n            { nominal: 134, mass: 133.90539466, abundance: 0.104357 },\n            { nominal: 135, mass: 134.9072278 },\n            { nominal: 136, mass: 135.907214484, abundance: 0.088573 },\n            { nominal: 137, mass: 136.91155778 },\n            { nominal: 138, mass: 137.9141463 },\n            { nominal: 139, mass: 138.9187922 },\n            { nominal: 140, mass: 139.9216458 },\n            { nominal: 141, mass: 140.9267872 },\n            { nominal: 142, mass: 141.9299731 },\n            { nominal: 143, mass: 142.9353696 },\n            { nominal: 144, mass: 143.9389451 },\n            { nominal: 145, mass: 144.94472 },\n            { nominal: 146, mass: 145.948518 },\n            { nominal: 147, mass: 146.95426 },\n            { nominal: 148, mass: 147.95813 },\n        ],\n        symbol: 'Xe',\n        mass: 131.29276144779053,\n        name: 'Xenon',\n        monoisotopicMass: 131.9041550856,\n    },\n    {\n        number: 55,\n        isotopes: [\n            { nominal: 112, mass: 111.950309 },\n            { nominal: 113, mass: 112.9444291 },\n            { nominal: 114, mass: 113.941296 },\n            { nominal: 115, mass: 114.93591 },\n            { nominal: 116, mass: 115.93337 },\n            { nominal: 117, mass: 116.928617 },\n            { nominal: 118, mass: 117.92656 },\n            { nominal: 119, mass: 118.922377 },\n            { nominal: 120, mass: 119.920677 },\n            { nominal: 121, mass: 120.917227 },\n            { nominal: 122, mass: 121.916108 },\n            { nominal: 123, mass: 122.912996 },\n            { nominal: 124, mass: 123.9122578 },\n            { nominal: 125, mass: 124.909728 },\n            { nominal: 126, mass: 125.909446 },\n            { nominal: 127, mass: 126.9074174 },\n            { nominal: 128, mass: 127.9077487 },\n            { nominal: 129, mass: 128.9060657 },\n            { nominal: 130, mass: 129.9067093 },\n            { nominal: 131, mass: 130.9054649 },\n            { nominal: 132, mass: 131.9064339 },\n            { nominal: 133, mass: 132.905451961, abundance: 1 },\n            { nominal: 134, mass: 133.906718503 },\n            { nominal: 135, mass: 134.905977 },\n            { nominal: 136, mass: 135.9073114 },\n            { nominal: 137, mass: 136.90708923 },\n            { nominal: 138, mass: 137.9110171 },\n            { nominal: 139, mass: 138.9133638 },\n            { nominal: 140, mass: 139.9172831 },\n            { nominal: 141, mass: 140.9200455 },\n            { nominal: 142, mass: 141.924296 },\n            { nominal: 143, mass: 142.927349 },\n            { nominal: 144, mass: 143.932076 },\n            { nominal: 145, mass: 144.935527 },\n            { nominal: 146, mass: 145.940344 },\n            { nominal: 147, mass: 146.944156 },\n            { nominal: 148, mass: 147.94923 },\n            { nominal: 149, mass: 148.95302 },\n            { nominal: 150, mass: 149.95833 },\n            { nominal: 151, mass: 150.96258 },\n        ],\n        symbol: 'Cs',\n        mass: 132.905451961,\n        name: 'Caesium',\n        monoisotopicMass: 132.905451961,\n    },\n    {\n        number: 56,\n        isotopes: [\n            { nominal: 114, mass: 113.95066 },\n            { nominal: 115, mass: 114.94737 },\n            { nominal: 116, mass: 115.94128 },\n            { nominal: 117, mass: 116.93814 },\n            { nominal: 118, mass: 117.93306 },\n            { nominal: 119, mass: 118.93066 },\n            { nominal: 120, mass: 119.92605 },\n            { nominal: 121, mass: 120.92405 },\n            { nominal: 122, mass: 121.919904 },\n            { nominal: 123, mass: 122.918781 },\n            { nominal: 124, mass: 123.915094 },\n            { nominal: 125, mass: 124.914472 },\n            { nominal: 126, mass: 125.91125 },\n            { nominal: 127, mass: 126.911091 },\n            { nominal: 128, mass: 127.908342 },\n            { nominal: 129, mass: 128.908681 },\n            { nominal: 130, mass: 129.9063207, abundance: 0.00106 },\n            { nominal: 131, mass: 130.906941 },\n            { nominal: 132, mass: 131.9050611, abundance: 0.00101 },\n            { nominal: 133, mass: 132.9060074 },\n            { nominal: 134, mass: 133.90450818, abundance: 0.02417 },\n            { nominal: 135, mass: 134.90568838, abundance: 0.06592 },\n            { nominal: 136, mass: 135.90457573, abundance: 0.07854 },\n            { nominal: 137, mass: 136.90582714, abundance: 0.11232 },\n            { nominal: 138, mass: 137.905247, abundance: 0.71698 },\n            { nominal: 139, mass: 138.9088411 },\n            { nominal: 140, mass: 139.9106057 },\n            { nominal: 141, mass: 140.9144033 },\n            { nominal: 142, mass: 141.9164324 },\n            { nominal: 143, mass: 142.9206253 },\n            { nominal: 144, mass: 143.9229549 },\n            { nominal: 145, mass: 144.9275184 },\n            { nominal: 146, mass: 145.930284 },\n            { nominal: 147, mass: 146.935304 },\n            { nominal: 148, mass: 147.938171 },\n            { nominal: 149, mass: 148.94308 },\n            { nominal: 150, mass: 149.94605 },\n            { nominal: 151, mass: 150.95127 },\n            { nominal: 152, mass: 151.95481 },\n            { nominal: 153, mass: 152.96036 },\n        ],\n        symbol: 'Ba',\n        mass: 137.3268916286322,\n        name: 'Barium',\n        monoisotopicMass: 137.905247,\n    },\n    {\n        number: 57,\n        isotopes: [\n            { nominal: 116, mass: 115.9563 },\n            { nominal: 117, mass: 116.94999 },\n            { nominal: 118, mass: 117.94673 },\n            { nominal: 119, mass: 118.94099 },\n            { nominal: 120, mass: 119.93807 },\n            { nominal: 121, mass: 120.93315 },\n            { nominal: 122, mass: 121.93071 },\n            { nominal: 123, mass: 122.9263 },\n            { nominal: 124, mass: 123.924574 },\n            { nominal: 125, mass: 124.920816 },\n            { nominal: 126, mass: 125.919513 },\n            { nominal: 127, mass: 126.916375 },\n            { nominal: 128, mass: 127.915592 },\n            { nominal: 129, mass: 128.912694 },\n            { nominal: 130, mass: 129.912369 },\n            { nominal: 131, mass: 130.91007 },\n            { nominal: 132, mass: 131.910119 },\n            { nominal: 133, mass: 132.908218 },\n            { nominal: 134, mass: 133.908514 },\n            { nominal: 135, mass: 134.906984 },\n            { nominal: 136, mass: 135.907635 },\n            { nominal: 137, mass: 136.9064504 },\n            { nominal: 138, mass: 137.9071149, abundance: 0.0008881 },\n            { nominal: 139, mass: 138.9063563, abundance: 0.9991119 },\n            { nominal: 140, mass: 139.9094806 },\n            { nominal: 141, mass: 140.910966 },\n            { nominal: 142, mass: 141.9140909 },\n            { nominal: 143, mass: 142.9160795 },\n            { nominal: 144, mass: 143.919646 },\n            { nominal: 145, mass: 144.921808 },\n            { nominal: 146, mass: 145.925875 },\n            { nominal: 147, mass: 146.928418 },\n            { nominal: 148, mass: 147.932679 },\n            { nominal: 149, mass: 148.93535 },\n            { nominal: 150, mass: 149.93947 },\n            { nominal: 151, mass: 150.94232 },\n            { nominal: 152, mass: 151.94682 },\n            { nominal: 153, mass: 152.95036 },\n            { nominal: 154, mass: 153.95517 },\n            { nominal: 155, mass: 154.95901 },\n        ],\n        symbol: 'La',\n        mass: 138.90546887371266,\n        name: 'Lanthanum',\n        monoisotopicMass: 138.9063563,\n    },\n    {\n        number: 58,\n        isotopes: [\n            { nominal: 119, mass: 118.95271 },\n            { nominal: 120, mass: 119.94654 },\n            { nominal: 121, mass: 120.94335 },\n            { nominal: 122, mass: 121.93787 },\n            { nominal: 123, mass: 122.93528 },\n            { nominal: 124, mass: 123.93031 },\n            { nominal: 125, mass: 124.92844 },\n            { nominal: 126, mass: 125.923971 },\n            { nominal: 127, mass: 126.922727 },\n          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145.918802 },\n            { nominal: 147, mass: 146.9226899 },\n            { nominal: 148, mass: 147.924424 },\n            { nominal: 149, mass: 148.928427 },\n            { nominal: 150, mass: 149.930384 },\n            { nominal: 151, mass: 150.934272 },\n            { nominal: 152, mass: 151.9366 },\n            { nominal: 153, mass: 152.94093 },\n            { nominal: 154, mass: 153.9438 },\n            { nominal: 155, mass: 154.94855 },\n            { nominal: 156, mass: 155.95183 },\n            { nominal: 157, mass: 156.95705 },\n        ],\n        symbol: 'Ce',\n        mass: 140.1157307378545,\n        name: 'Cerium',\n        monoisotopicMass: 139.9054431,\n    },\n    {\n        number: 59,\n        isotopes: [\n            { nominal: 121, mass: 120.95532 },\n            { nominal: 122, mass: 121.95175 },\n            { nominal: 123, mass: 122.94596 },\n            { nominal: 124, mass: 123.94294 },\n            { nominal: 125, mass: 124.9377 },\n            { nominal: 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146, mass: 145.91768 },\n            { nominal: 147, mass: 146.919008 },\n            { nominal: 148, mass: 147.92213 },\n            { nominal: 149, mass: 148.923736 },\n            { nominal: 150, mass: 149.9266765 },\n            { nominal: 151, mass: 150.928309 },\n            { nominal: 152, mass: 151.931553 },\n            { nominal: 153, mass: 152.933904 },\n            { nominal: 154, mass: 153.93753 },\n            { nominal: 155, mass: 154.940509 },\n            { nominal: 156, mass: 155.94464 },\n            { nominal: 157, mass: 156.94789 },\n            { nominal: 158, mass: 157.95241 },\n            { nominal: 159, mass: 158.95589 },\n        ],\n        symbol: 'Pr',\n        mass: 140.9076576,\n        name: 'Praseodymium',\n        monoisotopicMass: 140.9076576,\n    },\n    {\n        number: 60,\n        isotopes: [\n            { nominal: 124, mass: 123.9522 },\n            { nominal: 125, mass: 124.9489 },\n            { nominal: 126, mass: 125.94311 },\n            { nominal: 127, mass: 126.94038 },\n            { nominal: 128, mass: 127.93525 },\n            { nominal: 129, mass: 128.9331 },\n            { nominal: 130, mass: 129.928506 },\n            { nominal: 131, mass: 130.927248 },\n            { nominal: 132, mass: 131.923321 },\n            { nominal: 133, mass: 132.922348 },\n            { nominal: 134, mass: 133.91879 },\n            { nominal: 135, mass: 134.918181 },\n            { nominal: 136, mass: 135.914976 },\n            { nominal: 137, mass: 136.914562 },\n            { nominal: 138, mass: 137.91195 },\n            { nominal: 139, mass: 138.911954 },\n            { nominal: 140, mass: 139.90955 },\n            { nominal: 141, mass: 140.9096147 },\n            { nominal: 142, mass: 141.907729, abundance: 0.27152 },\n            { nominal: 143, mass: 142.90982, abundance: 0.12174 },\n            { nominal: 144, mass: 143.910093, abundance: 0.23798 },\n            { nominal: 145, mass: 144.9125793, abundance: 0.08293 },\n            { nominal: 146, mass: 145.9131226, abundance: 0.17189 },\n            { nominal: 147, mass: 146.9161061 },\n            { nominal: 148, mass: 147.9168993, abundance: 0.05756 },\n            { nominal: 149, mass: 148.9201548 },\n            { nominal: 150, mass: 149.9209022, abundance: 0.05638 },\n            { nominal: 151, mass: 150.9238403 },\n            { nominal: 152, mass: 151.924692 },\n            { nominal: 153, mass: 152.927718 },\n            { nominal: 154, mass: 153.92948 },\n            { nominal: 155, mass: 154.9331357 },\n            { nominal: 156, mass: 155.93508 },\n            { nominal: 157, mass: 156.939386 },\n            { nominal: 158, mass: 157.94197 },\n            { nominal: 159, mass: 158.94653 },\n            { nominal: 160, mass: 159.9494 },\n            { nominal: 161, mass: 160.95428 },\n        ],\n        symbol: 'Nd',\n        mass: 144.241596031827,\n        name: 'Neodymium',\n        monoisotopicMass: 141.907729,\n    },\n    {\n        number: 61,\n        isotopes: [\n            { nominal: 126, mass: 125.95792 },\n            { nominal: 127, mass: 126.95192 },\n            { nominal: 128, mass: 127.9487 },\n            { nominal: 129, mass: 128.94323 },\n            { nominal: 130, mass: 129.94053 },\n            { nominal: 131, mass: 130.93567 },\n            { nominal: 132, mass: 131.93384 },\n            { nominal: 133, mass: 132.929782 },\n            { nominal: 134, mass: 133.928353 },\n            { nominal: 135, mass: 134.924823 },\n            { nominal: 136, mass: 135.923585 },\n            { nominal: 137, mass: 136.92048 },\n            { nominal: 138, mass: 137.919548 },\n            { nominal: 139, mass: 138.9168 },\n            { nominal: 140, mass: 139.91604 },\n            { nominal: 141, mass: 140.913555 },\n            { nominal: 142, mass: 141.91289 },\n            { nominal: 143, mass: 142.9109383 },\n            { nominal: 144, mass: 143.9125964 },\n            { nominal: 145, mass: 144.9127559 },\n            { nominal: 146, mass: 145.9147024 },\n            { nominal: 147, mass: 146.915145 },\n            { nominal: 148, mass: 147.9174819 },\n            { nominal: 149, mass: 148.9183423 },\n            { nominal: 150, mass: 149.920991 },\n            { nominal: 151, mass: 150.9212175 },\n            { nominal: 152, mass: 151.923506 },\n            { nominal: 153, mass: 152.9241567 },\n            { nominal: 154, mass: 153.926472 },\n            { nominal: 155, mass: 154.928137 },\n            { nominal: 156, mass: 155.9311175 },\n            { nominal: 157, mass: 156.9331214 },\n            { nominal: 158, mass: 157.936565 },\n            { nominal: 159, mass: 158.939287 },\n            { nominal: 160, mass: 159.9431 },\n            { nominal: 161, mass: 160.94607 },\n            { nominal: 162, mass: 161.95022 },\n            { nominal: 163, mass: 162.95357 },\n        ],\n        symbol: 'Pm',\n        mass: null,\n        name: 'Promethium',\n    },\n    {\n        number: 62,\n        isotopes: [\n            { nominal: 128, mass: 127.95842 },\n            { nominal: 129, mass: 128.95476 },\n            { nominal: 130, mass: 129.949 },\n            { nominal: 131, mass: 130.94618 },\n            { nominal: 132, mass: 131.94087 },\n            { nominal: 133, mass: 132.93856 },\n            { nominal: 134, mass: 133.93411 },\n            { nominal: 135, mass: 134.93252 },\n            { nominal: 136, mass: 135.928276 },\n            { nominal: 137, mass: 136.926971 },\n            { nominal: 138, mass: 137.923244 },\n            { nominal: 139, mass: 138.922297 },\n            { nominal: 140, mass: 139.918995 },\n            { nominal: 141, mass: 140.9184816 },\n            { nominal: 142, mass: 141.9152044 },\n            { nominal: 143, mass: 142.9146353 },\n            { nominal: 144, mass: 143.9120065, abundance: 0.0307 },\n            { nominal: 145, mass: 144.9134173 },\n            { nominal: 146, mass: 145.913047 },\n            { nominal: 147, mass: 146.9149044, abundance: 0.1499 },\n            { nominal: 148, mass: 147.9148292, abundance: 0.1124 },\n            { nominal: 149, mass: 148.9171921, abundance: 0.1382 },\n            { nominal: 150, mass: 149.9172829, abundance: 0.0738 },\n            { nominal: 151, mass: 150.9199398 },\n            { nominal: 152, mass: 151.9197397, abundance: 0.2675 },\n            { nominal: 153, mass: 152.9221047 },\n            { nominal: 154, mass: 153.9222169, abundance: 0.2275 },\n            { nominal: 155, mass: 154.9246477 },\n            { nominal: 156, mass: 155.925536 },\n            { nominal: 157, mass: 156.9284187 },\n            { nominal: 158, mass: 157.929951 },\n            { nominal: 159, mass: 158.9332172 },\n            { nominal: 160, mass: 159.9353353 },\n            { nominal: 161, mass: 160.9391602 },\n            { nominal: 162, mass: 161.94146 },\n            { nominal: 163, mass: 162.94555 },\n            { nominal: 164, mass: 163.94836 },\n            { nominal: 165, mass: 164.95297 },\n        ],\n        symbol: 'Sm',\n        mass: 150.36635571193,\n        name: 'Samarium',\n        monoisotopicMass: 151.9197397,\n    },\n    {\n        number: 63,\n        isotopes: [\n            { nominal: 130, mass: 129.96369 },\n            { nominal: 131, mass: 130.95784 },\n            { nominal: 132, mass: 131.95467 },\n            { nominal: 133, mass: 132.94929 },\n            { nominal: 134, mass: 133.9464 },\n            { nominal: 135, mass: 134.94187 },\n            { nominal: 136, mass: 135.93962 },\n            { nominal: 137, mass: 136.93546 },\n            { nominal: 138, mass: 137.933709 },\n            { nominal: 139, mass: 138.929792 },\n            { nominal: 140, mass: 139.928088 },\n            { nominal: 141, mass: 140.924932 },\n            { nominal: 142, mass: 141.923442 },\n            { nominal: 143, mass: 142.920299 },\n            { nominal: 144, mass: 143.91882 },\n            { nominal: 145, mass: 144.9162726 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nominal: 165, mass: 164.94559 },\n            { nominal: 166, mass: 165.94962 },\n            { nominal: 167, mass: 166.95289 },\n        ],\n        symbol: 'Eu',\n        mass: 151.96437812637998,\n        name: 'Europium',\n        monoisotopicMass: 152.921238,\n    },\n    {\n        number: 64,\n        isotopes: [\n            { nominal: 133, mass: 132.96133 },\n            { nominal: 134, mass: 133.95566 },\n            { nominal: 135, mass: 134.95245 },\n            { nominal: 136, mass: 135.9473 },\n            { nominal: 137, mass: 136.94502 },\n            { nominal: 138, mass: 137.94025 },\n            { nominal: 139, mass: 138.93813 },\n            { nominal: 140, mass: 139.933674 },\n            { nominal: 141, mass: 140.932126 },\n            { nominal: 142, mass: 141.928116 },\n            { nominal: 143, mass: 142.92675 },\n            { nominal: 144, mass: 143.922963 },\n            { nominal: 145, mass: 144.921713 },\n            { nominal: 146, mass: 145.9183188 },\n            { nominal: 147, mass: 146.9191014 },\n            { nominal: 148, mass: 147.9181215 },\n            { nominal: 149, mass: 148.9193481 },\n            { nominal: 150, mass: 149.9186644 },\n            { nominal: 151, mass: 150.920356 },\n            { nominal: 152, mass: 151.9197995, abundance: 0.002 },\n            { nominal: 153, mass: 152.921758 },\n            { nominal: 154, mass: 153.9208741, abundance: 0.0218 },\n            { nominal: 155, mass: 154.9226305, abundance: 0.148 },\n            { nominal: 156, mass: 155.9221312, abundance: 0.2047 },\n            { nominal: 157, mass: 156.9239686, abundance: 0.1565 },\n            { nominal: 158, mass: 157.9241123, abundance: 0.2484 },\n            { nominal: 159, mass: 158.926397 },\n            { nominal: 160, mass: 159.9270624, abundance: 0.2186 },\n            { nominal: 161, mass: 160.9296775 },\n            { nominal: 162, mass: 161.930993 },\n            { nominal: 163, mass: 162.9341769 },\n            { nominal: 164, mass: 163.93583 },\n            { nominal: 165, mass: 164.93936 },\n            { nominal: 166, mass: 165.94146 },\n            { nominal: 167, mass: 166.94545 },\n            { nominal: 168, mass: 167.94808 },\n            { nominal: 169, mass: 168.9526 },\n        ],\n        symbol: 'Gd',\n        mass: 157.25213064687998,\n        name: 'Gadolinium',\n        monoisotopicMass: 157.9241123,\n    },\n    {\n        number: 65,\n        isotopes: [\n            { nominal: 135, mass: 134.96476 },\n            { nominal: 136, mass: 135.96129 },\n            { nominal: 137, mass: 136.95602 },\n            { nominal: 138, mass: 137.95312 },\n            { nominal: 139, mass: 138.94833 },\n            { nominal: 140, mass: 139.94581 },\n            { nominal: 141, mass: 140.94145 },\n            { nominal: 142, mass: 141.93928 },\n            { nominal: 143, mass: 142.935137 },\n            { nominal: 144, mass: 143.933045 },\n            { nominal: 145, mass: 144.92882 },\n            { nominal: 146, mass: 145.927253 },\n            { nominal: 147, mass: 146.9240548 },\n            { nominal: 148, mass: 147.924282 },\n            { nominal: 149, mass: 148.9232535 },\n            { nominal: 150, mass: 149.9236649 },\n            { nominal: 151, mass: 150.9231096 },\n            { nominal: 152, mass: 151.924083 },\n            { nominal: 153, mass: 152.9234424 },\n            { nominal: 154, mass: 153.924685 },\n            { nominal: 155, mass: 154.923511 },\n            { nominal: 156, mass: 155.9247552 },\n            { nominal: 157, mass: 156.924033 },\n            { nominal: 158, mass: 157.9254209 },\n            { nominal: 159, mass: 158.9253547, abundance: 1 },\n            { nominal: 160, mass: 159.9271756 },\n            { nominal: 161, mass: 160.9275778 },\n            { nominal: 162, mass: 161.929495 },\n            { nominal: 163, mass: 162.9306547 },\n            { nominal: 164, mass: 163.93336 },\n            { nominal: 165, mass: 164.93498 },\n            { nominal: 166, mass: 165.93786 },\n            { nominal: 167, mass: 166.93996 },\n            { nominal: 168, mass: 167.9434 },\n            { nominal: 169, mass: 168.94597 },\n            { nominal: 170, mass: 169.94984 },\n            { nominal: 171, mass: 170.95273 },\n        ],\n        symbol: 'Tb',\n        mass: 158.9253547,\n        name: 'Terbium',\n        monoisotopicMass: 158.9253547,\n    },\n    {\n        number: 66,\n        isotopes: [\n            { nominal: 138, mass: 137.9625 },\n            { nominal: 139, mass: 138.95959 },\n            { nominal: 140, mass: 139.95402 },\n            { nominal: 141, mass: 140.95128 },\n            { nominal: 142, mass: 141.94619 },\n            { nominal: 143, mass: 142.943994 },\n            { nominal: 144, mass: 143.9392695 },\n            { nominal: 145, mass: 144.937474 },\n            { nominal: 146, mass: 145.9328445 },\n            { nominal: 147, mass: 146.9310827 },\n            { nominal: 148, mass: 147.927157 },\n            { nominal: 149, mass: 148.927322 },\n            { nominal: 150, mass: 149.9255933 },\n            { nominal: 151, mass: 150.9261916 },\n            { nominal: 152, mass: 151.9247253 },\n            { nominal: 153, mass: 152.9257724 },\n            { nominal: 154, mass: 153.9244293 },\n            { nominal: 155, mass: 154.925759 },\n            { nominal: 156, mass: 155.9242847, abundance: 0.00056 },\n            { nominal: 157, mass: 156.9254707 },\n            { nominal: 158, mass: 157.9244159, abundance: 0.00095 },\n            { nominal: 159, mass: 158.925747 },\n            { nominal: 160, mass: 159.9252046, abundance: 0.02329 },\n            { nominal: 161, mass: 160.9269405, abundance: 0.18889 },\n            { nominal: 162, mass: 161.9268056, abundance: 0.25475 },\n            { nominal: 163, mass: 162.9287383, abundance: 0.24896 },\n            { nominal: 164, mass: 163.9291819, abundance: 0.2826 },\n            { nominal: 165, mass: 164.9317105 },\n            { nominal: 166, mass: 165.9328139 },\n            { nominal: 167, mass: 166.935661 },\n            { nominal: 168, mass: 167.93713 },\n            { nominal: 169, mass: 168.94031 },\n            { nominal: 170, mass: 169.94239 },\n            { nominal: 171, mass: 170.94612 },\n            { nominal: 172, mass: 171.94846 },\n            { nominal: 173, mass: 172.95283 },\n        ],\n        symbol: 'Dy',\n        mass: 162.499472819424,\n        name: 'Dysprosium',\n        monoisotopicMass: 163.9291819,\n    },\n    {\n        number: 67,\n        isotopes: [\n            { nominal: 140, mass: 139.96859 },\n            { nominal: 141, mass: 140.96311 },\n            { nominal: 142, mass: 141.96001 },\n            { nominal: 143, mass: 142.95486 },\n            { nominal: 144, mass: 143.9521097 },\n            { nominal: 145, mass: 144.9472674 },\n            { nominal: 146, mass: 145.9449935 },\n            { nominal: 147, mass: 146.9401423 },\n            { nominal: 148, mass: 147.937744 },\n            { nominal: 149, mass: 148.933803 },\n            { nominal: 150, mass: 149.933498 },\n            { nominal: 151, mass: 150.9316983 },\n            { nominal: 152, mass: 151.931724 },\n            { nominal: 153, mass: 152.9302064 },\n            { nominal: 154, mass: 153.9306068 },\n            { nominal: 155, mass: 154.929104 },\n            { nominal: 156, mass: 155.929706 },\n            { nominal: 157, mass: 156.928254 },\n            { nominal: 158, mass: 157.928946 },\n            { nominal: 159, mass: 158.9277197 },\n            { nominal: 160, mass: 159.928737 },\n            { nominal: 161, mass: 160.9278615 },\n            { nominal: 162, mass: 161.9291023 },\n            { nominal: 163, mass: 162.928741 },\n            { nominal: 164, mass: 163.9302403 },\n            { nominal: 165, mass: 164.9303288, abundance: 1 },\n            { nominal: 166, mass: 165.9322909 },\n            { nominal: 167, mass: 166.9331385 },\n            { nominal: 168, mass: 167.935522 },\n            { nominal: 169, mass: 168.936878 },\n            { nominal: 170, mass: 169.939625 },\n            { nominal: 171, mass: 170.94147 },\n            { nominal: 172, mass: 171.94473 },\n            { nominal: 173, mass: 172.94702 },\n            { nominal: 174, mass: 173.95095 },\n            { nominal: 175, mass: 174.95362 },\n        ],\n        symbol: 'Ho',\n        mass: 164.9303288,\n        name: 'Holmium',\n        monoisotopicMass: 164.9303288,\n    },\n    {\n        number: 68,\n        isotopes: [\n            { nominal: 142, mass: 141.9701 },\n            { nominal: 143, mass: 142.96662 },\n            { nominal: 144, mass: 143.9607 },\n            { nominal: 145, mass: 144.95805 },\n            { nominal: 146, mass: 145.9524184 },\n            { nominal: 147, mass: 146.949964 },\n            { nominal: 148, mass: 147.944735 },\n            { nominal: 149, mass: 148.942306 },\n            { nominal: 150, mass: 149.937916 },\n            { nominal: 151, mass: 150.937449 },\n            { nominal: 152, mass: 151.935057 },\n            { nominal: 153, mass: 152.93508 },\n            { nominal: 154, mass: 153.9327908 },\n            { nominal: 155, mass: 154.9332159 },\n            { nominal: 156, mass: 155.931067 },\n            { nominal: 157, mass: 156.931949 },\n            { nominal: 158, mass: 157.929893 },\n            { nominal: 159, mass: 158.9306918 },\n            { nominal: 160, mass: 159.929077 },\n            { nominal: 161, mass: 160.9300046 },\n            { nominal: 162, mass: 161.9287884, abundance: 0.00139 },\n            { nominal: 163, mass: 162.9300408 },\n            { nominal: 164, mass: 163.9292088, abundance: 0.01601 },\n            { nominal: 165, mass: 164.9307345 },\n            { nominal: 166, mass: 165.9302995, abundance: 0.33503 },\n            { nominal: 167, mass: 166.9320546, abundance: 0.22869 },\n            { nominal: 168, mass: 167.9323767, abundance: 0.26978 },\n            { nominal: 169, mass: 168.9345968 },\n            { nominal: 170, mass: 169.9354702, abundance: 0.1491 },\n            { nominal: 171, mass: 170.9380357 },\n            { nominal: 172, mass: 171.9393619 },\n            { nominal: 173, mass: 172.9424 },\n            { nominal: 174, mass: 173.94423 },\n            { nominal: 175, mass: 174.94777 },\n            { nominal: 176, mass: 175.94994 },\n            { nominal: 177, mass: 176.95399 },\n        ],\n        symbol: 'Er',\n        mass: 167.259082649669,\n        name: 'Erbium',\n        monoisotopicMass: 165.9302995,\n    },\n    {\n        number: 69,\n        isotopes: [\n            { nominal: 144, mass: 143.97628 },\n            { nominal: 145, mass: 144.97039 },\n            { nominal: 146, mass: 145.96684 },\n            { nominal: 147, mass: 146.9613799 },\n            { nominal: 148, mass: 147.958384 },\n            { nominal: 149, mass: 148.95289 },\n            { nominal: 150, mass: 149.95009 },\n            { nominal: 151, mass: 150.945488 },\n            { nominal: 152, mass: 151.944422 },\n            { nominal: 153, mass: 152.94204 },\n            { nominal: 154, mass: 153.94157 },\n            { nominal: 155, mass: 154.93921 },\n            { nominal: 156, mass: 155.938992 },\n            { nominal: 157, mass: 156.936944 },\n            { nominal: 158, mass: 157.93698 },\n            { nominal: 159, mass: 158.934975 },\n            { nominal: 160, mass: 159.935263 },\n            { nominal: 161, mass: 160.933549 },\n            { nominal: 162, mass: 161.934002 },\n            { nominal: 163, mass: 162.9326592 },\n            { nominal: 164, mass: 163.933544 },\n            { nominal: 165, mass: 164.9324431 },\n            { nominal: 166, mass: 165.933561 },\n            { nominal: 167, mass: 166.9328562 },\n            { nominal: 168, mass: 167.9341774 },\n            { nominal: 169, mass: 168.9342179, abundance: 1 },\n            { nominal: 170, mass: 169.935806 },\n            { nominal: 171, mass: 170.9364339 },\n            { nominal: 172, mass: 171.9384055 },\n            { nominal: 173, mass: 172.9396084 },\n            { nominal: 174, mass: 173.942173 },\n            { nominal: 175, mass: 174.943841 },\n            { nominal: 176, mass: 175.947 },\n            { nominal: 177, mass: 176.94904 },\n            { nominal: 178, mass: 177.95264 },\n            { nominal: 179, mass: 178.95534 },\n        ],\n        symbol: 'Tm',\n        mass: 168.9342179,\n        name: 'Thulium',\n        monoisotopicMass: 168.9342179,\n    },\n    {\n        number: 70,\n        isotopes: [\n            { nominal: 148, mass: 147.96758 },\n            { nominal: 149, mass: 148.96436 },\n            { nominal: 150, mass: 149.95852 },\n            { nominal: 151, mass: 150.9554 },\n            { nominal: 152, mass: 151.95027 },\n            { nominal: 153, mass: 152.94932 },\n            { nominal: 154, mass: 153.946396 },\n            { nominal: 155, mass: 154.945783 },\n            { nominal: 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173.9388664, abundance: 0.32026 },\n            { nominal: 175, mass: 174.9412808 },\n            { nominal: 176, mass: 175.9425764, abundance: 0.12996 },\n            { nominal: 177, mass: 176.9452656 },\n            { nominal: 178, mass: 177.946651 },\n            { nominal: 179, mass: 178.95004 },\n            { nominal: 180, mass: 179.95212 },\n            { nominal: 181, mass: 180.95589 },\n        ],\n        symbol: 'Yb',\n        mass: 173.05415016631702,\n        name: 'Ytterbium',\n        monoisotopicMass: 173.9388664,\n    },\n    {\n        number: 71,\n        isotopes: [\n            { nominal: 150, mass: 149.97355 },\n            { nominal: 151, mass: 150.96768 },\n            { nominal: 152, mass: 151.96412 },\n            { nominal: 153, mass: 152.95875 },\n            { nominal: 154, mass: 153.95736 },\n            { nominal: 155, mass: 154.954321 },\n            { nominal: 156, mass: 155.953033 },\n            { nominal: 157, mass: 156.950127 },\n            { 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176.9437615 },\n            { nominal: 178, mass: 177.945958 },\n            { nominal: 179, mass: 178.9473309 },\n            { nominal: 180, mass: 179.949888 },\n            { nominal: 181, mass: 180.95191 },\n            { nominal: 182, mass: 181.95504 },\n            { nominal: 183, mass: 182.957363 },\n            { nominal: 184, mass: 183.96091 },\n            { nominal: 185, mass: 184.96362 },\n        ],\n        symbol: 'Lu',\n        mass: 174.96681495785498,\n        name: 'Lutetium',\n        monoisotopicMass: 174.9407752,\n    },\n    {\n        number: 72,\n        isotopes: [\n            { nominal: 153, mass: 152.97069 },\n            { nominal: 154, mass: 153.96486 },\n            { nominal: 155, mass: 154.96311 },\n            { nominal: 156, mass: 155.95935 },\n            { nominal: 157, mass: 156.95824 },\n            { nominal: 158, mass: 157.954801 },\n            { nominal: 159, mass: 158.953996 },\n            { nominal: 160, mass: 159.950691 },\n            { 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abundance: 0.1362 },\n            { nominal: 180, mass: 179.946557, abundance: 0.3508 },\n            { nominal: 181, mass: 180.9491083 },\n            { nominal: 182, mass: 181.9505612 },\n            { nominal: 183, mass: 182.95353 },\n            { nominal: 184, mass: 183.955446 },\n            { nominal: 185, mass: 184.958862 },\n            { nominal: 186, mass: 185.960897 },\n            { nominal: 187, mass: 186.96477 },\n            { nominal: 188, mass: 187.96685 },\n            { nominal: 189, mass: 188.97084 },\n        ],\n        symbol: 'Hf',\n        mass: 178.4849787234,\n        name: 'Hafnium',\n        monoisotopicMass: 179.946557,\n    },\n    {\n        number: 73,\n        isotopes: [\n            { nominal: 155, mass: 154.97424 },\n            { nominal: 156, mass: 155.97203 },\n            { nominal: 157, mass: 156.96818 },\n            { nominal: 158, mass: 157.96654 },\n            { nominal: 159, mass: 158.963023 },\n            { nominal: 160, mass: 159.961488 },\n            { nominal: 161, mass: 160.958452 },\n            { nominal: 162, mass: 161.957294 },\n            { nominal: 163, mass: 162.954337 },\n            { nominal: 164, mass: 163.953534 },\n            { nominal: 165, mass: 164.950781 },\n            { nominal: 166, mass: 165.950512 },\n            { nominal: 167, mass: 166.948093 },\n            { nominal: 168, mass: 167.948047 },\n            { nominal: 169, mass: 168.946011 },\n            { nominal: 170, mass: 169.946175 },\n            { nominal: 171, mass: 170.944476 },\n            { nominal: 172, mass: 171.944895 },\n            { nominal: 173, mass: 172.94375 },\n            { nominal: 174, mass: 173.944454 },\n            { nominal: 175, mass: 174.943737 },\n            { nominal: 176, mass: 175.944857 },\n            { nominal: 177, mass: 176.9444795 },\n            { nominal: 178, mass: 177.945678 },\n            { nominal: 179, mass: 178.9459366 },\n            { nominal: 180, mass: 179.9474648, abundance: 0.0001201 },\n            { nominal: 181, mass: 180.9479958, abundance: 0.9998799 },\n            { nominal: 182, mass: 181.9501519 },\n            { nominal: 183, mass: 182.9513726 },\n            { nominal: 184, mass: 183.954008 },\n            { nominal: 185, mass: 184.955559 },\n            { nominal: 186, mass: 185.958551 },\n            { nominal: 187, mass: 186.960386 },\n            { nominal: 188, mass: 187.963916 },\n            { nominal: 189, mass: 188.96583 },\n            { nominal: 190, mass: 189.96939 },\n            { nominal: 191, mass: 190.97156 },\n            { nominal: 192, mass: 191.97514 },\n        ],\n        symbol: 'Ta',\n        mass: 180.9478756362269,\n        name: 'Tantalum',\n        monoisotopicMass: 180.9479958,\n    },\n    {\n        number: 74,\n        isotopes: [\n            { nominal: 157, mass: 156.97884 },\n            { nominal: 158, mass: 157.97456 },\n            { nominal: 159, mass: 158.97264 },\n            { nominal: 160, mass: 159.96846 },\n            { nominal: 161, mass: 160.9672 },\n            { nominal: 162, mass: 161.963499 },\n            { nominal: 163, mass: 162.962524 },\n            { nominal: 164, mass: 163.958961 },\n            { nominal: 165, mass: 164.958281 },\n            { nominal: 166, mass: 165.955031 },\n            { nominal: 167, mass: 166.954805 },\n            { nominal: 168, mass: 167.951806 },\n            { nominal: 169, mass: 168.951779 },\n            { nominal: 170, mass: 169.949232 },\n            { nominal: 171, mass: 170.949451 },\n            { nominal: 172, mass: 171.947292 },\n            { nominal: 173, mass: 172.947689 },\n            { nominal: 174, mass: 173.946079 },\n            { nominal: 175, mass: 174.946717 },\n            { nominal: 176, mass: 175.945634 },\n            { nominal: 177, mass: 176.946643 },\n            { nominal: 178, mass: 177.945883 },\n            { nominal: 179, mass: 178.947077 },\n            { nominal: 180, mass: 179.9467108, abundance: 0.0012 },\n            { nominal: 181, mass: 180.9481978 },\n            { nominal: 182, mass: 181.94820394, abundance: 0.265 },\n            { nominal: 183, mass: 182.95022275, abundance: 0.1431 },\n            { nominal: 184, mass: 183.95093092, abundance: 0.3064 },\n            { nominal: 185, mass: 184.95341897 },\n            { nominal: 186, mass: 185.9543628, abundance: 0.2843 },\n            { nominal: 187, mass: 186.9571588 },\n            { nominal: 188, mass: 187.9584862 },\n            { nominal: 189, mass: 188.961763 },\n            { nominal: 190, mass: 189.963091 },\n            { nominal: 191, mass: 190.966531 },\n            { nominal: 192, mass: 191.96817 },\n            { nominal: 193, mass: 192.97178 },\n            { nominal: 194, mass: 193.97367 },\n        ],\n        symbol: 'W',\n        mass: 183.841777550513,\n        name: 'Tungsten',\n        monoisotopicMass: 183.95093092,\n    },\n    {\n        number: 75,\n        isotopes: [\n            { nominal: 159, mass: 158.98418 },\n            { nominal: 160, mass: 159.98182 },\n            { nominal: 161, mass: 160.97757 },\n            { nominal: 162, mass: 161.97584 },\n            { nominal: 163, mass: 162.97208 },\n            { nominal: 164, mass: 163.970453 },\n            { nominal: 165, mass: 164.967103 },\n            { nominal: 166, mass: 165.965761 },\n            { nominal: 167, mass: 166.962595 },\n            { nominal: 168, mass: 167.961573 },\n            { nominal: 169, mass: 168.958766 },\n            { nominal: 170, mass: 169.95822 },\n            { nominal: 171, mass: 170.955716 },\n            { nominal: 172, mass: 171.95542 },\n            { nominal: 173, mass: 172.953243 },\n            { nominal: 174, mass: 173.953115 },\n            { nominal: 175, mass: 174.951381 },\n            { nominal: 176, mass: 175.951623 },\n            { nominal: 177, mass: 176.950328 },\n            { nominal: 178, mass: 177.950989 },\n            { nominal: 179, mass: 178.949989 },\n            { nominal: 180, mass: 179.950792 },\n            { nominal: 181, mass: 180.950058 },\n            { nominal: 182, mass: 181.95121 },\n            { nominal: 183, mass: 182.9508196 },\n            { nominal: 184, mass: 183.9525228 },\n            { nominal: 185, mass: 184.9529545, abundance: 0.374 },\n            { nominal: 186, mass: 185.9549856 },\n            { nominal: 187, mass: 186.9557501, abundance: 0.626 },\n            { nominal: 188, mass: 187.9581115 },\n            { nominal: 189, mass: 188.959226 },\n            { nominal: 190, mass: 189.961744 },\n            { nominal: 191, mass: 190.963122 },\n            { nominal: 192, mass: 191.966088 },\n            { nominal: 193, mass: 192.967541 },\n            { nominal: 194, mass: 193.97076 },\n            { nominal: 195, mass: 194.97254 },\n            { nominal: 196, mass: 195.9758 },\n            { nominal: 197, mass: 196.97799 },\n            { nominal: 198, mass: 197.9816 },\n        ],\n        symbol: 'Re',\n        mass: 186.20670454560002,\n        name: 'Rhenium',\n        monoisotopicMass: 186.9557501,\n    },\n    {\n        number: 76,\n        isotopes: [\n            { nominal: 161, mass: 160.98903 },\n            { nominal: 162, mass: 161.98443 },\n            { nominal: 163, mass: 162.98241 },\n            { nominal: 164, mass: 163.97802 },\n            { nominal: 165, mass: 164.9766 },\n            { nominal: 166, mass: 165.972692 },\n            { nominal: 167, mass: 166.971549 },\n            { nominal: 168, mass: 167.967808 },\n            { nominal: 169, mass: 168.967018 },\n            { nominal: 170, mass: 169.963578 },\n            { nominal: 171, mass: 170.963174 },\n            { nominal: 172, mass: 171.960017 },\n            { nominal: 173, mass: 172.959808 },\n            { nominal: 174, mass: 173.957064 },\n            { nominal: 175, mass: 174.956945 },\n            { nominal: 176, mass: 175.954806 },\n            { nominal: 177, mass: 176.954966 },\n            { nominal: 178, mass: 177.953254 },\n            { nominal: 179, mass: 178.953817 },\n            { nominal: 180, mass: 179.952375 },\n            { nominal: 181, mass: 180.953247 },\n            { nominal: 182, mass: 181.95211 },\n            { nominal: 183, mass: 182.953125 },\n            { nominal: 184, mass: 183.9524885, abundance: 0.0002 },\n            { nominal: 185, mass: 184.9540417 },\n            { nominal: 186, mass: 185.953835, abundance: 0.0159 },\n            { nominal: 187, mass: 186.9557474, abundance: 0.0196 },\n            { nominal: 188, mass: 187.9558352, abundance: 0.1324 },\n            { nominal: 189, mass: 188.9581442, abundance: 0.1615 },\n            { nominal: 190, mass: 189.9584437, abundance: 0.2626 },\n            { nominal: 191, mass: 190.9609264 },\n            { nominal: 192, mass: 191.961477, abundance: 0.4078 },\n            { nominal: 193, mass: 192.9641479 },\n            { nominal: 194, mass: 193.9651772 },\n            { nominal: 195, mass: 194.968318 },\n            { nominal: 196, mass: 195.969641 },\n            { nominal: 197, mass: 196.97283 },\n            { nominal: 198, mass: 197.97441 },\n            { nominal: 199, mass: 198.97801 },\n            { nominal: 200, mass: 199.97984 },\n            { nominal: 201, mass: 200.98364 },\n            { nominal: 202, mass: 201.98595 },\n        ],\n        symbol: 'Os',\n        mass: 190.22485962823998,\n        name: 'Osmium',\n        monoisotopicMass: 191.961477,\n    },\n    {\n        number: 77,\n        isotopes: [\n            { nominal: 164, mass: 163.99191 },\n            { nominal: 165, mass: 164.9875 },\n            { nominal: 166, mass: 165.98566 },\n            { nominal: 167, mass: 166.981666 },\n            { nominal: 168, mass: 167.979907 },\n            { nominal: 169, mass: 168.976298 },\n            { nominal: 170, mass: 169.974922 },\n            { nominal: 171, mass: 170.97164 },\n            { nominal: 172, mass: 171.970607 },\n            { 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nominal: 193, mass: 192.9629216, abundance: 0.627 },\n            { nominal: 194, mass: 193.9650735 },\n            { nominal: 195, mass: 194.9659747 },\n            { nominal: 196, mass: 195.968397 },\n            { nominal: 197, mass: 196.969655 },\n            { nominal: 198, mass: 197.97228 },\n            { nominal: 199, mass: 198.973805 },\n            { nominal: 200, mass: 199.9768 },\n            { nominal: 201, mass: 200.97864 },\n            { nominal: 202, mass: 201.98199 },\n            { nominal: 203, mass: 202.98423 },\n            { nominal: 204, mass: 203.9896 },\n        ],\n        symbol: 'Ir',\n        mass: 192.2160516521,\n        name: 'Iridium',\n        monoisotopicMass: 192.9629216,\n    },\n    {\n        number: 78,\n        isotopes: [\n            { nominal: 166, mass: 165.99486 },\n            { nominal: 167, mass: 166.99269 },\n            { nominal: 168, mass: 167.98813 },\n            { nominal: 169, mass: 168.98657 },\n            { nominal: 170, mass: 169.982496 },\n            { nominal: 171, mass: 170.981245 },\n            { nominal: 172, mass: 171.977351 },\n            { nominal: 173, mass: 172.976443 },\n            { nominal: 174, mass: 173.97282 },\n            { nominal: 175, mass: 174.97241 },\n            { nominal: 176, mass: 175.968938 },\n            { nominal: 177, mass: 176.96847 },\n            { nominal: 178, mass: 177.96565 },\n            { nominal: 179, mass: 178.965359 },\n            { nominal: 180, mass: 179.963032 },\n            { nominal: 181, mass: 180.963098 },\n            { nominal: 182, mass: 181.961172 },\n            { nominal: 183, mass: 182.961597 },\n            { nominal: 184, mass: 183.959915 },\n            { nominal: 185, mass: 184.960614 },\n            { nominal: 186, mass: 185.959351 },\n            { nominal: 187, mass: 186.960617 },\n            { nominal: 188, mass: 187.9593889 },\n            { nominal: 189, mass: 188.960831 },\n            { nominal: 190, mass: 189.9599297, abundance: 0.00012 },\n            { nominal: 191, mass: 190.9616729 },\n            { nominal: 192, mass: 191.9610387, abundance: 0.00782 },\n            { nominal: 193, mass: 192.9629824 },\n            { nominal: 194, mass: 193.9626809, abundance: 0.3286 },\n            { nominal: 195, mass: 194.9647917, abundance: 0.3378 },\n            { nominal: 196, mass: 195.96495209, abundance: 0.2521 },\n            { nominal: 197, mass: 196.96734069 },\n            { nominal: 198, mass: 197.9678949, abundance: 0.07356 },\n            { nominal: 199, mass: 198.9705952 },\n            { nominal: 200, mass: 199.971443 },\n            { nominal: 201, mass: 200.974513 },\n            { nominal: 202, mass: 201.975639 },\n            { nominal: 203, mass: 202.97893 },\n            { nominal: 204, mass: 203.98076 },\n            { nominal: 205, mass: 204.98608 },\n            { nominal: 206, mass: 205.98966 },\n        ],\n        symbol: 'Pt',\n        mass: 195.084456864931,\n        name: 'Platinum',\n        monoisotopicMass: 194.9647917,\n    },\n    {\n        number: 79,\n        isotopes: [\n            { nominal: 169, mass: 168.99808 },\n            { nominal: 170, mass: 169.99597 },\n            { nominal: 171, mass: 170.991876 },\n            { nominal: 172, mass: 171.989942 },\n            { nominal: 173, mass: 172.986241 },\n            { nominal: 174, mass: 173.984717 },\n            { nominal: 175, mass: 174.981304 },\n            { nominal: 176, mass: 175.98025 },\n            { nominal: 177, mass: 176.97687 },\n            { nominal: 178, mass: 177.976032 },\n            { nominal: 179, mass: 178.973174 },\n            { nominal: 180, mass: 179.972523 },\n            { nominal: 181, mass: 180.970079 },\n            { nominal: 182, mass: 181.969618 },\n            { nominal: 183, mass: 182.967591 },\n            { nominal: 184, mass: 183.967452 },\n            { nominal: 185, mass: 184.96579 },\n            { nominal: 186, mass: 185.965953 },\n            { nominal: 187, mass: 186.964543 },\n            { nominal: 188, mass: 187.965349 },\n            { nominal: 189, mass: 188.963948 },\n            { nominal: 190, mass: 189.964698 },\n            { nominal: 191, mass: 190.963702 },\n            { nominal: 192, mass: 191.964814 },\n            { nominal: 193, mass: 192.9641373 },\n            { nominal: 194, mass: 193.9654178 },\n            { nominal: 195, mass: 194.9650352 },\n            { nominal: 196, mass: 195.9665699 },\n            { nominal: 197, mass: 196.96656879, abundance: 1 },\n            { nominal: 198, mass: 197.96824242 },\n            { nominal: 199, mass: 198.96876528 },\n            { nominal: 200, mass: 199.970756 },\n            { nominal: 201, mass: 200.9716575 },\n            { nominal: 202, mass: 201.973856 },\n            { nominal: 203, mass: 202.9751544 },\n            { nominal: 204, mass: 203.97783 },\n            { nominal: 205, mass: 204.97985 },\n            { nominal: 206, mass: 205.98474 },\n            { nominal: 207, mass: 206.9884 },\n            { nominal: 208, mass: 207.99345 },\n            { nominal: 209, mass: 208.99735 },\n            { nominal: 210, mass: 210.0025 },\n        ],\n        symbol: 'Au',\n        mass: 196.96656879,\n        name: 'Gold',\n        monoisotopicMass: 196.96656879,\n    },\n    {\n        number: 80,\n        isotopes: [\n            { nominal: 171, mass: 171.00353 },\n            { nominal: 172, mass: 171.99881 },\n            { nominal: 173, mass: 172.99709 },\n            { nominal: 174, mass: 173.992865 },\n            { nominal: 175, mass: 174.991441 },\n            { nominal: 176, mass: 175.987361 },\n            { nominal: 177, mass: 176.986277 },\n            { nominal: 178, mass: 177.982484 },\n            { nominal: 179, mass: 178.981831 },\n            { nominal: 180, mass: 179.97826 },\n            { nominal: 181, mass: 180.977819 },\n            { nominal: 182, mass: 181.974689 },\n            { nominal: 183, mass: 182.9744448 },\n            { nominal: 184, mass: 183.971714 },\n            { nominal: 185, mass: 184.971899 },\n            { nominal: 186, mass: 185.969362 },\n            { nominal: 187, mass: 186.969814 },\n            { nominal: 188, mass: 187.967567 },\n            { nominal: 189, mass: 188.968195 },\n            { nominal: 190, mass: 189.966323 },\n            { nominal: 191, mass: 190.967157 },\n            { nominal: 192, mass: 191.965635 },\n            { nominal: 193, mass: 192.966653 },\n            { nominal: 194, mass: 193.9654491 },\n            { nominal: 195, mass: 194.966721 },\n            { nominal: 196, mass: 195.9658326, abundance: 0.0015 },\n            { nominal: 197, mass: 196.9672128 },\n            { nominal: 198, mass: 197.9667686, abundance: 0.0997 },\n            { nominal: 199, mass: 198.96828064, abundance: 0.1687 },\n            { nominal: 200, mass: 199.96832659, abundance: 0.231 },\n            { nominal: 201, mass: 200.97030284, abundance: 0.1318 },\n            { nominal: 202, mass: 201.9706434, abundance: 0.2986 },\n            { nominal: 203, mass: 202.9728728 },\n            { nominal: 204, mass: 203.97349398, abundance: 0.0687 },\n            { nominal: 205, mass: 204.9760734 },\n            { nominal: 206, mass: 205.977514 },\n            { nominal: 207, mass: 206.9823 },\n            { nominal: 208, mass: 207.985759 },\n            { nominal: 209, mass: 208.99072 },\n            { nominal: 210, mass: 209.99424 },\n            { nominal: 211, mass: 210.99933 },\n            { nominal: 212, mass: 212.00296 },\n            { nominal: 213, mass: 213.00823 },\n            { nominal: 214, mass: 214.012 },\n            { nominal: 215, mass: 215.0174 },\n            { nominal: 216, mass: 216.02132 },\n        ],\n        symbol: 'Hg',\n        mass: 200.59916703455602,\n        name: 'Mercury',\n        monoisotopicMass: 201.9706434,\n    },\n    {\n        number: 81,\n        isotopes: [\n            { nominal: 176, mass: 176.000624 },\n            { nominal: 177, mass: 176.996431 },\n            { nominal: 178, mass: 177.99485 },\n            { nominal: 179, mass: 178.991111 },\n            { nominal: 180, mass: 179.990057 },\n            { nominal: 181, mass: 180.98626 },\n            { nominal: 182, mass: 181.985713 },\n            { nominal: 183, mass: 182.982193 },\n            { nominal: 184, mass: 183.981886 },\n            { nominal: 185, mass: 184.978789 },\n            { nominal: 186, mass: 185.978651 },\n            { nominal: 187, mass: 186.9759063 },\n            { nominal: 188, mass: 187.976021 },\n            { nominal: 189, mass: 188.973588 },\n            { nominal: 190, mass: 189.973828 },\n            { nominal: 191, mass: 190.9717842 },\n            { nominal: 192, mass: 191.972225 },\n            { nominal: 193, mass: 192.970502 },\n            { nominal: 194, mass: 193.971081 },\n            { nominal: 195, mass: 194.969774 },\n            { nominal: 196, mass: 195.970481 },\n            { nominal: 197, mass: 196.969576 },\n            { nominal: 198, mass: 197.970483 },\n            { nominal: 199, mass: 198.969877 },\n            { nominal: 200, mass: 199.9709633 },\n            { nominal: 201, mass: 200.970822 },\n            { nominal: 202, mass: 201.972102 },\n            { nominal: 203, mass: 202.9723446, abundance: 0.2952 },\n            { nominal: 204, mass: 203.9738639 },\n            { nominal: 205, mass: 204.9744278, abundance: 0.7048 },\n            { nominal: 206, mass: 205.9761106 },\n            { nominal: 207, mass: 206.9774197 },\n            { nominal: 208, mass: 207.982019 },\n            { nominal: 209, mass: 208.9853594 },\n            { nominal: 210, mass: 209.990074 },\n            { nominal: 211, mass: 210.993475 },\n            { nominal: 212, mass: 211.99834 },\n            { nominal: 213, mass: 213.001915 },\n            { nominal: 214, mass: 214.00694 },\n            { nominal: 215, mass: 215.01064 },\n            { nominal: 216, mass: 216.0158 },\n            { nominal: 217, mass: 217.01966 },\n            { nominal: 218, mass: 218.02479 },\n        ],\n        symbol: 'Tl',\n        mass: 204.38341283936,\n        name: 'Thallium',\n        monoisotopicMass: 204.9744278,\n    },\n    {\n        number: 82,\n        isotopes: [\n            { nominal: 178, mass: 178.003831 },\n            { nominal: 179, mass: 179.002201 },\n            { nominal: 180, mass: 179.997928 },\n            { nominal: 181, mass: 180.996653 },\n            { nominal: 182, mass: 181.992672 },\n            { nominal: 183, mass: 182.991872 },\n            { nominal: 184, mass: 183.988136 },\n            { nominal: 185, mass: 184.98761 },\n            { nominal: 186, mass: 185.984238 },\n            { nominal: 187, mass: 186.9839109 },\n            { nominal: 188, mass: 187.980875 },\n            { nominal: 189, mass: 188.980807 },\n            { nominal: 190, mass: 189.978082 },\n            { nominal: 191, mass: 190.978276 },\n            { nominal: 192, mass: 191.975775 },\n            { nominal: 193, mass: 192.976173 },\n            { nominal: 194, mass: 193.974012 },\n            { nominal: 195, mass: 194.974543 },\n            { nominal: 196, mass: 195.972774 },\n            { nominal: 197, mass: 196.9734312 },\n            { nominal: 198, mass: 197.972034 },\n            { nominal: 199, mass: 198.972913 },\n            { nominal: 200, mass: 199.971819 },\n            { nominal: 201, mass: 200.972883 },\n            { nominal: 202, mass: 201.972152 },\n            { nominal: 203, mass: 202.9733911 },\n            { nominal: 204, mass: 203.973044, abundance: 0.014 },\n            { nominal: 205, mass: 204.9744822 },\n            { nominal: 206, mass: 205.9744657, abundance: 0.241 },\n            { nominal: 207, mass: 206.9758973, abundance: 0.221 },\n            { nominal: 208, mass: 207.9766525, abundance: 0.524 },\n            { nominal: 209, mass: 208.9810905 },\n            { nominal: 210, mass: 209.9841889 },\n            { nominal: 211, mass: 210.9887371 },\n            { nominal: 212, mass: 211.9918977 },\n            { nominal: 213, mass: 212.9965629 },\n            { nominal: 214, mass: 213.9998059 },\n            { nominal: 215, mass: 215.00474 },\n            { nominal: 216, mass: 216.00803 },\n            { nominal: 217, mass: 217.01314 },\n            { nominal: 218, mass: 218.01659 },\n            { nominal: 219, mass: 219.02177 },\n            { nominal: 220, mass: 220.02541 },\n        ],\n        symbol: 'Pb',\n        mass: 207.216908063,\n        name: 'Lead',\n        monoisotopicMass: 207.9766525,\n    },\n    {\n        number: 83,\n        isotopes: [\n            { nominal: 184, mass: 184.001275 },\n            { nominal: 185, mass: 184.9976 },\n            { nominal: 186, mass: 185.996644 },\n            { nominal: 187, mass: 186.993147 },\n            { nominal: 188, mass: 187.992287 },\n            { nominal: 189, mass: 188.989195 },\n            { nominal: 190, mass: 189.988622 },\n            { nominal: 191, mass: 190.9857866 },\n            { nominal: 192, mass: 191.985469 },\n            { nominal: 193, mass: 192.98296 },\n            { nominal: 194, mass: 193.982785 },\n            { nominal: 195, mass: 194.9806488 },\n            { nominal: 196, mass: 195.980667 },\n            { nominal: 197, mass: 196.9788651 },\n            { nominal: 198, mass: 197.979206 },\n            { nominal: 199, mass: 198.977673 },\n            { nominal: 200, mass: 199.978131 },\n            { nominal: 201, mass: 200.97701 },\n            { nominal: 202, mass: 201.977734 },\n            { nominal: 203, mass: 202.976893 },\n            { nominal: 204, mass: 203.9778361 },\n            { nominal: 205, mass: 204.9773867 },\n            { nominal: 206, mass: 205.9784993 },\n            { nominal: 207, mass: 206.978471 },\n            { nominal: 208, mass: 207.9797425 },\n            { nominal: 209, mass: 208.9803991, abundance: 1 },\n            { nominal: 210, mass: 209.9841207 },\n            { nominal: 211, mass: 210.9872697 },\n            { nominal: 212, mass: 211.991286 },\n            { nominal: 213, mass: 212.9943851 },\n            { nominal: 214, mass: 213.998712 },\n            { nominal: 215, mass: 215.00177 },\n            { nominal: 216, mass: 216.006306 },\n            { nominal: 217, mass: 217.009372 },\n            { nominal: 218, mass: 218.014188 },\n            { nominal: 219, mass: 219.01748 },\n            { nominal: 220, mass: 220.02235 },\n            { nominal: 221, mass: 221.02587 },\n            { nominal: 222, mass: 222.03078 },\n            { nominal: 223, mass: 223.0345 },\n            { nominal: 224, mass: 224.03947 },\n        ],\n        symbol: 'Bi',\n        mass: 208.9803991,\n        name: 'Bismuth',\n        monoisotopicMass: 208.9803991,\n    },\n    {\n        number: 84,\n        isotopes: [\n            { nominal: 186, mass: 186.004393 },\n            { nominal: 187, mass: 187.003041 },\n            { nominal: 188, mass: 187.999416 },\n            { nominal: 189, mass: 188.998473 },\n            { nominal: 190, mass: 189.995101 },\n            { nominal: 191, mass: 190.9945585 },\n            { nominal: 192, mass: 191.991336 },\n            { nominal: 193, mass: 192.991026 },\n            { nominal: 194, mass: 193.988186 },\n            { nominal: 195, mass: 194.988126 },\n            { nominal: 196, mass: 195.985526 },\n            { nominal: 197, mass: 196.98566 },\n            { nominal: 198, mass: 197.983389 },\n            { nominal: 199, mass: 198.983667 },\n            { nominal: 200, mass: 199.981799 },\n            { nominal: 201, mass: 200.9822598 },\n            { nominal: 202, mass: 201.980758 },\n            { nominal: 203, mass: 202.9814161 },\n            { nominal: 204, mass: 203.98031 },\n            { nominal: 205, mass: 204.981203 },\n            { nominal: 206, mass: 205.980474 },\n            { nominal: 207, mass: 206.9815938 },\n            { nominal: 208, mass: 207.9812461 },\n            { nominal: 209, mass: 208.9824308 },\n            { nominal: 210, mass: 209.9828741 },\n            { nominal: 211, mass: 210.9866536 },\n            { nominal: 212, mass: 211.9888684 },\n            { nominal: 213, mass: 212.9928576 },\n            { nominal: 214, mass: 213.9952017 },\n            { nominal: 215, mass: 214.9994201 },\n            { nominal: 216, mass: 216.0019152 },\n            { nominal: 217, mass: 217.0063182 },\n            { nominal: 218, mass: 218.0089735 },\n            { nominal: 219, mass: 219.013614 },\n            { nominal: 220, mass: 220.016386 },\n            { nominal: 221, mass: 221.021228 },\n            { nominal: 222, mass: 222.02414 },\n            { nominal: 223, mass: 223.02907 },\n            { nominal: 224, mass: 224.03211 },\n            { nominal: 225, mass: 225.03707 },\n            { nominal: 226, mass: 226.04031 },\n            { nominal: 227, mass: 227.04539 },\n        ],\n        symbol: 'Po',\n        mass: null,\n        name: 'Polonium',\n    },\n    {\n        number: 85,\n        isotopes: [\n            { nominal: 191, mass: 191.004148 },\n            { nominal: 192, mass: 192.003152 },\n            { nominal: 193, mass: 192.999927 },\n            { nominal: 194, mass: 193.999236 },\n            { nominal: 195, mass: 194.9962685 },\n            { nominal: 196, mass: 195.9958 },\n            { nominal: 197, mass: 196.993189 },\n            { nominal: 198, mass: 197.992784 },\n            { nominal: 199, mass: 198.9905277 },\n            { nominal: 200, mass: 199.990351 },\n            { nominal: 201, mass: 200.9884171 },\n            { nominal: 202, mass: 201.98863 },\n            { nominal: 203, mass: 202.986943 },\n            { nominal: 204, mass: 203.987251 },\n            { nominal: 205, mass: 204.986076 },\n            { nominal: 206, mass: 205.986657 },\n            { nominal: 207, mass: 206.9858 },\n            { nominal: 208, mass: 207.9866133 },\n            { nominal: 209, mass: 208.9861702 },\n            { nominal: 210, mass: 209.9871479 },\n            { nominal: 211, mass: 210.9874966 },\n            { nominal: 212, mass: 211.9907377 },\n            { nominal: 213, mass: 212.992937 },\n            { nominal: 214, mass: 213.9963721 },\n            { nominal: 215, mass: 214.9986528 },\n            { nominal: 216, mass: 216.0024236 },\n            { nominal: 217, mass: 217.0047192 },\n            { nominal: 218, mass: 218.008695 },\n            { nominal: 219, mass: 219.0111618 },\n            { nominal: 220, mass: 220.015433 },\n            { nominal: 221, mass: 221.018017 },\n            { nominal: 222, mass: 222.022494 },\n            { nominal: 223, mass: 223.025151 },\n            { nominal: 224, mass: 224.029749 },\n            { nominal: 225, mass: 225.03263 },\n            { nominal: 226, mass: 226.03716 },\n            { nominal: 227, mass: 227.04024 },\n            { nominal: 228, mass: 228.04475 },\n            { nominal: 229, mass: 229.04812 },\n        ],\n        symbol: 'At',\n        mass: null,\n        name: 'Astatine',\n    },\n    {\n        number: 86,\n        isotopes: [\n            { nominal: 193, mass: 193.009708 },\n            { nominal: 194, mass: 194.006144 },\n            { nominal: 195, mass: 195.005422 },\n            { nominal: 196, mass: 196.002116 },\n            { nominal: 197, mass: 197.001585 },\n            { nominal: 198, mass: 197.998679 },\n            { nominal: 199, mass: 198.99839 },\n            { nominal: 200, mass: 199.99569 },\n            { nominal: 201, mass: 200.995628 },\n            { nominal: 202, mass: 201.993264 },\n            { nominal: 203, mass: 202.993388 },\n            { nominal: 204, mass: 203.99143 },\n            { nominal: 205, mass: 204.991719 },\n            { nominal: 206, mass: 205.990214 },\n            { nominal: 207, mass: 206.9907303 },\n            { nominal: 208, mass: 207.989635 },\n            { nominal: 209, mass: 208.990415 },\n            { nominal: 210, mass: 209.9896891 },\n            { nominal: 211, mass: 210.9906011 },\n            { nominal: 212, mass: 211.9907039 },\n            { nominal: 213, mass: 212.9938831 },\n            { nominal: 214, mass: 213.995363 },\n            { nominal: 215, mass: 214.9987459 },\n            { nominal: 216, mass: 216.0002719 },\n            { nominal: 217, mass: 217.003928 },\n            { nominal: 218, mass: 218.0056016 },\n            { nominal: 219, mass: 219.0094804 },\n            { nominal: 220, mass: 220.0113941 },\n            { nominal: 221, mass: 221.0155371 },\n            { nominal: 222, mass: 222.0175782 },\n            { nominal: 223, mass: 223.0218893 },\n            { nominal: 224, mass: 224.024096 },\n            { nominal: 225, mass: 225.028486 },\n            { nominal: 226, mass: 226.030861 },\n            { nominal: 227, mass: 227.035304 },\n            { nominal: 228, mass: 228.037835 },\n            { nominal: 229, mass: 229.042257 },\n            { nominal: 230, mass: 230.04514 },\n            { nominal: 231, mass: 231.04987 },\n        ],\n        symbol: 'Rn',\n        mass: null,\n        name: 'Radon',\n    },\n    {\n        number: 87,\n        isotopes: [\n            { nominal: 199, mass: 199.007259 },\n            { nominal: 200, mass: 200.006586 },\n            { nominal: 201, mass: 201.003867 },\n            { nominal: 202, mass: 202.00332 },\n            { nominal: 203, mass: 203.0009407 },\n            { nominal: 204, mass: 204.000652 },\n            { nominal: 205, mass: 204.9985939 },\n            { nominal: 206, mass: 205.998666 },\n            { nominal: 207, mass: 206.996946 },\n            { nominal: 208, mass: 207.997138 },\n            { nominal: 209, mass: 208.995955 },\n            { nominal: 210, mass: 209.996422 },\n            { nominal: 211, mass: 210.995556 },\n            { nominal: 212, mass: 211.9962257 },\n            { nominal: 213, mass: 212.996186 },\n            { nominal: 214, mass: 213.9989713 },\n            { nominal: 215, mass: 215.0003418 },\n            { nominal: 216, mass: 216.0031899 },\n            { nominal: 217, mass: 217.0046323 },\n            { nominal: 218, mass: 218.0075787 },\n            { nominal: 219, mass: 219.0092524 },\n            { nominal: 220, mass: 220.0123277 },\n            { nominal: 221, mass: 221.0142552 },\n            { nominal: 222, mass: 222.017552 },\n            { nominal: 223, mass: 223.019736 },\n            { nominal: 224, mass: 224.023398 },\n            { nominal: 225, mass: 225.025573 },\n            { nominal: 226, mass: 226.029566 },\n            { nominal: 227, mass: 227.031869 },\n            { nominal: 228, mass: 228.035823 },\n            { nominal: 229, mass: 229.038298 },\n            { nominal: 230, mass: 230.042416 },\n            { nominal: 231, mass: 231.045158 },\n            { nominal: 232, mass: 232.04937 },\n            { nominal: 233, mass: 233.05264 },\n        ],\n        symbol: 'Fr',\n        mass: null,\n        name: 'Francium',\n    },\n    {\n        number: 88,\n        isotopes: [\n            { nominal: 201, mass: 201.01271 },\n            { nominal: 202, mass: 202.00976 },\n            { nominal: 203, mass: 203.009304 },\n            { nominal: 204, mass: 204.006492 },\n            { nominal: 205, mass: 205.006268 },\n            { nominal: 206, mass: 206.003828 },\n            { nominal: 207, mass: 207.003799 },\n            { nominal: 208, mass: 208.001841 },\n            { nominal: 209, mass: 209.00199 },\n            { nominal: 210, mass: 210.000494 },\n            { nominal: 211, mass: 211.0008932 },\n            { nominal: 212, mass: 211.999787 },\n            { nominal: 213, mass: 213.000384 },\n            { nominal: 214, mass: 214.0000997 },\n            { nominal: 215, mass: 215.0027204 },\n            { nominal: 216, mass: 216.0035334 },\n            { nominal: 217, mass: 217.0063207 },\n            { nominal: 218, mass: 218.007141 },\n            { nominal: 219, mass: 219.0100855 },\n            { nominal: 220, mass: 220.0110259 },\n            { nominal: 221, mass: 221.0139177 },\n            { nominal: 222, mass: 222.0153748 },\n            { nominal: 223, mass: 223.0185023 },\n            { nominal: 224, mass: 224.020212 },\n            { nominal: 225, mass: 225.0236119 },\n            { nominal: 226, mass: 226.0254103 },\n            { nominal: 227, mass: 227.0291783 },\n            { nominal: 228, mass: 228.0310707 },\n            { nominal: 229, mass: 229.034942 },\n            { nominal: 230, mass: 230.037055 },\n            { nominal: 231, mass: 231.041027 },\n            { nominal: 232, mass: 232.0434753 },\n            { nominal: 233, mass: 233.047582 },\n            { nominal: 234, mass: 234.050342 },\n            { nominal: 235, mass: 235.05497 },\n        ],\n        symbol: 'Ra',\n        mass: null,\n        name: 'Radium',\n    },\n    {\n        number: 89,\n        isotopes: [\n            { nominal: 206, mass: 206.014452 },\n            { nominal: 207, mass: 207.011966 },\n            { nominal: 208, mass: 208.01155 },\n            { nominal: 209, mass: 209.009495 },\n            { nominal: 210, mass: 210.009436 },\n            { nominal: 211, mass: 211.007732 },\n            { nominal: 212, mass: 212.007813 },\n            { nominal: 213, mass: 213.006609 },\n            { nominal: 214, mass: 214.006918 },\n            { nominal: 215, mass: 215.006475 },\n            { nominal: 216, mass: 216.008743 },\n            { nominal: 217, mass: 217.009344 },\n            { nominal: 218, mass: 218.011642 },\n            { nominal: 219, mass: 219.012421 },\n            { nominal: 220, mass: 220.0147549 },\n            { nominal: 221, mass: 221.015592 },\n            { nominal: 222, mass: 222.0178442 },\n            { nominal: 223, mass: 223.0191377 },\n            { nominal: 224, mass: 224.0217232 },\n            { nominal: 225, mass: 225.02323 },\n            { nominal: 226, mass: 226.0260984 },\n            { nominal: 227, mass: 227.0277523 },\n            { nominal: 228, mass: 228.0310215 },\n            { nominal: 229, mass: 229.032956 },\n            { nominal: 230, mass: 230.036327 },\n            { nominal: 231, mass: 231.038393 },\n            { nominal: 232, mass: 232.042034 },\n            { nominal: 233, mass: 233.044346 },\n            { nominal: 234, mass: 234.048139 },\n            { nominal: 235, mass: 235.05084 },\n            { nominal: 236, mass: 236.054988 },\n            { nominal: 237, mass: 237.05827 },\n        ],\n        symbol: 'Ac',\n        mass: null,\n        name: 'Actinium',\n    },\n    {\n        number: 90,\n        isotopes: [\n            { nominal: 208, mass: 208.0179 },\n            { nominal: 209, mass: 209.017753 },\n            { nominal: 210, mass: 210.015094 },\n            { nominal: 211, mass: 211.014929 },\n            { nominal: 212, mass: 212.012988 },\n            { nominal: 213, mass: 213.013009 },\n            { nominal: 214, mass: 214.0115 },\n            { nominal: 215, mass: 215.0117248 },\n            { nominal: 216, mass: 216.011056 },\n            { nominal: 217, mass: 217.013117 },\n            { nominal: 218, mass: 218.013276 },\n            { nominal: 219, mass: 219.015537 },\n            { nominal: 220, mass: 220.015748 },\n            { nominal: 221, mass: 221.018184 },\n            { nominal: 222, mass: 222.018469 },\n            { nominal: 223, mass: 223.0208119 },\n            { nominal: 224, mass: 224.021464 },\n            { nominal: 225, mass: 225.0239514 },\n            { nominal: 226, mass: 226.0249034 },\n            { nominal: 227, mass: 227.0277042 },\n            { nominal: 228, mass: 228.0287413 },\n            { nominal: 229, mass: 229.0317627 },\n            { nominal: 230, mass: 230.0331341 },\n            { nominal: 231, mass: 231.0363046 },\n            { nominal: 232, mass: 232.0380558, abundance: 1 },\n            { nominal: 233, mass: 233.0415823 },\n            { nominal: 234, mass: 234.0436014 },\n            { nominal: 235, mass: 235.047255 },\n            { nominal: 236, mass: 236.049657 },\n            { nominal: 237, mass: 237.053629 },\n            { nominal: 238, mass: 238.0565 },\n            { nominal: 239, mass: 239.06077 },\n        ],\n        symbol: 'Th',\n        mass: 232.0380558,\n        name: 'Thorium',\n        monoisotopicMass: 232.0380558,\n    },\n    {\n        number: 91,\n        isotopes: [\n            { nominal: 212, mass: 212.023203 },\n            { nominal: 213, mass: 213.021109 },\n            { nominal: 214, mass: 214.020918 },\n            { nominal: 215, mass: 215.019183 },\n            { nominal: 216, mass: 216.019109 },\n            { nominal: 217, mass: 217.018325 },\n            { nominal: 218, mass: 218.020059 },\n            { nominal: 219, mass: 219.019904 },\n            { nominal: 220, mass: 220.021705 },\n            { nominal: 221, mass: 221.021875 },\n            { nominal: 222, mass: 222.023784 },\n            { nominal: 223, mass: 223.023963 },\n            { nominal: 224, mass: 224.0256176 },\n            { nominal: 225, mass: 225.026131 },\n            { nominal: 226, mass: 226.027948 },\n            { nominal: 227, mass: 227.0288054 },\n            { nominal: 228, mass: 228.0310517 },\n            { nominal: 229, mass: 229.0320972 },\n            { nominal: 230, mass: 230.034541 },\n            { nominal: 231, mass: 231.0358842, abundance: 1 },\n            { nominal: 232, mass: 232.0385917 },\n            { nominal: 233, mass: 233.0402472 },\n            { nominal: 234, mass: 234.0433072 },\n            { nominal: 235, mass: 235.045399 },\n            { nominal: 236, mass: 236.048668 },\n            { nominal: 237, mass: 237.051023 },\n            { nominal: 238, mass: 238.054637 },\n            { nominal: 239, mass: 239.05726 },\n            { nominal: 240, mass: 240.06098 },\n            { nominal: 241, mass: 241.06408 },\n        ],\n        symbol: 'Pa',\n        mass: 231.0358842,\n        name: 'Protactinium',\n        monoisotopicMass: 231.0358842,\n    },\n    {\n        number: 92,\n        isotopes: [\n            { nominal: 217, mass: 217.02466 },\n            { nominal: 218, mass: 218.023523 },\n            { nominal: 219, mass: 219.024999 },\n            { nominal: 220, mass: 220.02462 },\n            { nominal: 221, mass: 221.02628 },\n            { nominal: 222, mass: 222.026 },\n            { nominal: 223, mass: 223.027739 },\n            { nominal: 224, mass: 224.027605 },\n            { nominal: 225, mass: 225.029391 },\n            { nominal: 226, mass: 226.029339 },\n            { nominal: 227, mass: 227.031157 },\n            { nominal: 228, mass: 228.031371 },\n            { nominal: 229, mass: 229.0335063 },\n            { nominal: 230, mass: 230.0339401 },\n            { nominal: 231, mass: 231.0362939 },\n            { nominal: 232, mass: 232.0371563 },\n            { nominal: 233, mass: 233.0396355 },\n            { nominal: 234, mass: 234.0409523, abundance: 0.000054 },\n            { nominal: 235, mass: 235.0439301, abundance: 0.007204 },\n            { nominal: 236, mass: 236.0455682 },\n            { nominal: 237, mass: 237.0487304 },\n            { nominal: 238, mass: 238.0507884, abundance: 0.992742 },\n            { nominal: 239, mass: 239.0542935 },\n            { nominal: 240, mass: 240.0565934 },\n            { nominal: 241, mass: 241.06033 },\n            { nominal: 242, mass: 242.06293 },\n            { nominal: 243, mass: 243.06699 },\n        ],\n        symbol: 'U',\n        mass: 238.0289104616574,\n        name: 'Uranium',\n        monoisotopicMass: 238.0507884,\n    },\n    {\n        number: 93,\n        isotopes: [\n            { nominal: 219, mass: 219.03143 },\n            { nominal: 220, mass: 220.03254 },\n            { nominal: 221, mass: 221.03204 },\n            { nominal: 222, mass: 222.0333 },\n            { nominal: 223, mass: 223.03285 },\n            { nominal: 224, mass: 224.03422 },\n            { nominal: 225, mass: 225.033911 },\n            { nominal: 226, mass: 226.035188 },\n            { nominal: 227, mass: 227.034957 },\n            { nominal: 228, mass: 228.036067 },\n            { nominal: 229, mass: 229.036264 },\n            { nominal: 230, mass: 230.037828 },\n            { nominal: 231, mass: 231.038245 },\n            { nominal: 232, mass: 232.04011 },\n            { nominal: 233, mass: 233.040741 },\n            { nominal: 234, mass: 234.0428953 },\n            { nominal: 235, mass: 235.0440635 },\n            { nominal: 236, mass: 236.04657 },\n            { nominal: 237, mass: 237.0481736 },\n            { nominal: 238, mass: 238.0509466 },\n            { nominal: 239, mass: 239.0529392 },\n            { nominal: 240, mass: 240.056165 },\n            { nominal: 241, mass: 241.058253 },\n            { nominal: 242, mass: 242.06164 },\n            { nominal: 243, mass: 243.06428 },\n            { nominal: 244, mass: 244.06785 },\n            { nominal: 245, mass: 245.0708 },\n        ],\n        symbol: 'Np',\n        mass: null,\n        name: 'Neptunium',\n    },\n    {\n        number: 94,\n        isotopes: [\n            { nominal: 228, mass: 228.038732 },\n            { nominal: 229, mass: 229.040144 },\n            { nominal: 230, mass: 230.03965 },\n            { nominal: 231, mass: 231.041102 },\n            { nominal: 232, mass: 232.041185 },\n            { nominal: 233, mass: 233.042998 },\n            { nominal: 234, mass: 234.0433174 },\n            { nominal: 235, mass: 235.045286 },\n            { nominal: 236, mass: 236.0460581 },\n            { nominal: 237, mass: 237.0484098 },\n            { nominal: 238, mass: 238.0495601 },\n            { nominal: 239, mass: 239.0521636 },\n            { nominal: 240, mass: 240.0538138 },\n            { nominal: 241, mass: 241.0568517 },\n            { nominal: 242, mass: 242.0587428 },\n            { nominal: 243, mass: 243.0620036 },\n            { nominal: 244, mass: 244.0642053 },\n            { nominal: 245, mass: 245.067826 },\n            { nominal: 246, mass: 246.070205 },\n            { nominal: 247, mass: 247.07419 },\n        ],\n        symbol: 'Pu',\n        mass: null,\n        name: 'Plutonium',\n    },\n    {\n        number: 95,\n        isotopes: [\n            { nominal: 230, mass: 230.04609 },\n            { nominal: 231, mass: 231.04556 },\n            { nominal: 232, mass: 232.04645 },\n            { nominal: 233, mass: 233.04644 },\n            { nominal: 234, mass: 234.04773 },\n            { nominal: 235, mass: 235.047908 },\n            { nominal: 236, mass: 236.04943 },\n            { nominal: 237, mass: 237.049996 },\n            { nominal: 238, mass: 238.051985 },\n            { nominal: 239, mass: 239.0530247 },\n            { nominal: 240, mass: 240.0553 },\n            { nominal: 241, mass: 241.0568293 },\n            { nominal: 242, mass: 242.0595494 },\n            { nominal: 243, mass: 243.0613813 },\n            { nominal: 244, mass: 244.0642851 },\n            { nominal: 245, mass: 245.0664548 },\n            { nominal: 246, mass: 246.069775 },\n            { nominal: 247, mass: 247.07209 },\n            { nominal: 248, mass: 248.07575 },\n            { nominal: 249, mass: 249.07848 },\n        ],\n        symbol: 'Am',\n        name: 'Americium',\n        mass: null,\n    },\n    {\n        number: 96,\n        isotopes: [\n            { nominal: 232, mass: 232.04982 },\n            { nominal: 233, mass: 233.05077 },\n            { nominal: 234, mass: 234.05016 },\n            { nominal: 235, mass: 235.05154 },\n            { nominal: 236, mass: 236.051374 },\n            { nominal: 237, mass: 237.052869 },\n            { nominal: 238, mass: 238.053081 },\n            { nominal: 239, mass: 239.05491 },\n            { nominal: 240, mass: 240.0555297 },\n            { nominal: 241, mass: 241.0576532 },\n            { nominal: 242, mass: 242.058836 },\n            { nominal: 243, mass: 243.0613893 },\n            { nominal: 244, mass: 244.0627528 },\n            { nominal: 245, mass: 245.0654915 },\n            { nominal: 246, mass: 246.0672238 },\n            { nominal: 247, mass: 247.0703541 },\n            { nominal: 248, mass: 248.0723499 },\n            { nominal: 249, mass: 249.0759548 },\n            { nominal: 250, mass: 250.078358 },\n            { nominal: 251, mass: 251.082286 },\n            { nominal: 252, mass: 252.08487 },\n        ],\n        symbol: 'Cm',\n        name: 'Curium',\n        mass: null,\n    },\n    {\n        number: 97,\n        isotopes: [\n            { nominal: 234, mass: 234.05727 },\n            { nominal: 235, mass: 235.05658 },\n            { nominal: 236, mass: 236.05748 },\n            { nominal: 237, mass: 237.0571 },\n            { nominal: 238, mass: 238.0582 },\n            { nominal: 239, mass: 239.05824 },\n            { nominal: 240, mass: 240.05976 },\n            { nominal: 241, mass: 241.06016 },\n            { nominal: 242, mass: 242.06198 },\n            { nominal: 243, mass: 243.0630078 },\n            { nominal: 244, mass: 244.065181 },\n            { nominal: 245, mass: 245.0663618 },\n            { nominal: 246, mass: 246.068673 },\n            { nominal: 247, mass: 247.0703073 },\n            { nominal: 248, mass: 248.073088 },\n            { nominal: 249, mass: 249.0749877 },\n            { nominal: 250, mass: 250.0783167 },\n            { nominal: 251, mass: 251.080762 },\n            { nominal: 252, mass: 252.08431 },\n            { nominal: 253, mass: 253.08688 },\n            { nominal: 254, mass: 254.0906 },\n        ],\n        symbol: 'Bk',\n        name: 'Berkelium',\n        mass: null,\n    },\n    {\n        number: 98,\n        isotopes: [\n            { nominal: 237, mass: 237.062198 },\n            { nominal: 238, mass: 238.06149 },\n            { nominal: 239, mass: 239.06253 },\n            { nominal: 240, mass: 240.062256 },\n            { nominal: 241, mass: 241.06369 },\n            { nominal: 242, mass: 242.063754 },\n            { nominal: 243, mass: 243.06548 },\n            { nominal: 244, mass: 244.0660008 },\n            { nominal: 245, mass: 245.0680487 },\n            { nominal: 246, mass: 246.0688055 },\n            { nominal: 247, mass: 247.070965 },\n            { nominal: 248, mass: 248.0721851 },\n            { nominal: 249, mass: 249.0748539 },\n            { nominal: 250, mass: 250.0764062 },\n            { nominal: 251, mass: 251.0795886 },\n            { nominal: 252, mass: 252.0816272 },\n            { nominal: 253, mass: 253.0851345 },\n            { nominal: 254, mass: 254.087324 },\n            { nominal: 255, mass: 255.09105 },\n            { nominal: 256, mass: 256.09344 },\n        ],\n        symbol: 'Cf',\n        name: 'Californium',\n        mass: null,\n    },\n    {\n        number: 99,\n        isotopes: [\n            { nominal: 239, mass: 239.06823 },\n            { nominal: 240, mass: 240.06892 },\n            { nominal: 241, mass: 241.06856 },\n            { nominal: 242, mass: 242.06957 },\n            { nominal: 243, mass: 243.06951 },\n            { nominal: 244, mass: 244.07088 },\n            { nominal: 245, mass: 245.07125 },\n            { nominal: 246, mass: 246.0729 },\n            { nominal: 247, mass: 247.073622 },\n            { nominal: 248, mass: 248.075471 },\n            { nominal: 249, mass: 249.076411 },\n            { nominal: 250, mass: 250.07861 },\n            { nominal: 251, mass: 251.0799936 },\n            { nominal: 252, mass: 252.08298 },\n            { nominal: 253, mass: 253.0848257 },\n            { nominal: 254, mass: 254.0880222 },\n            { nominal: 255, mass: 255.090275 },\n            { nominal: 256, mass: 256.0936 },\n            { nominal: 257, mass: 257.09598 },\n            { nominal: 258, mass: 258.09952 },\n        ],\n        symbol: 'Es',\n        name: 'Einsteinium',\n        mass: null,\n    },\n    {\n        number: 100,\n        isotopes: [\n            { nominal: 241, mass: 241.07421 },\n            { nominal: 242, mass: 242.07343 },\n            { nominal: 243, mass: 243.07446 },\n            { nominal: 244, mass: 244.07404 },\n            { nominal: 245, mass: 245.07535 },\n            { nominal: 246, mass: 246.07535 },\n            { nominal: 247, mass: 247.07694 },\n            { nominal: 248, mass: 248.0771865 },\n            { nominal: 249, mass: 249.0789275 },\n            { nominal: 250, mass: 250.079521 },\n            { nominal: 251, mass: 251.08154 },\n            { nominal: 252, mass: 252.0824671 },\n            { nominal: 253, mass: 253.0851846 },\n            { nominal: 254, mass: 254.0868544 },\n            { nominal: 255, mass: 255.089964 },\n            { nominal: 256, mass: 256.0917745 },\n            { nominal: 257, mass: 257.0951061 },\n            { nominal: 258, mass: 258.09708 },\n            { nominal: 259, mass: 259.1006 },\n            { nominal: 260, mass: 260.10281 },\n        ],\n        symbol: 'Fm',\n        name: 'Fermium',\n        mass: null,\n    },\n    {\n        number: 101,\n        isotopes: [\n            { nominal: 245, mass: 245.08081 },\n            { nominal: 246, mass: 246.08171 },\n            { nominal: 247, mass: 247.08152 },\n            { nominal: 248, mass: 248.08282 },\n            { nominal: 249, mass: 249.08291 },\n            { nominal: 250, mass: 250.08441 },\n            { nominal: 251, mass: 251.084774 },\n            { nominal: 252, mass: 252.08643 },\n            { nominal: 253, mass: 253.087144 },\n            { nominal: 254, mass: 254.08959 },\n            { nominal: 255, mass: 255.0910841 },\n            { nominal: 256, mass: 256.09389 },\n            { nominal: 257, mass: 257.0955424 },\n            { nominal: 258, mass: 258.0984315 },\n            { nominal: 259, mass: 259.10051 },\n            { nominal: 260, mass: 260.10365 },\n            { nominal: 261, mass: 261.10583 },\n            { nominal: 262, mass: 262.1091 },\n        ],\n        symbol: 'Md',\n        name: 'Mendelevium',\n        mass: null,\n    },\n    {\n        number: 102,\n        isotopes: [\n            { nominal: 248, mass: 248.08655 },\n            { nominal: 249, mass: 249.0878 },\n            { nominal: 250, mass: 250.08756 },\n            { nominal: 251, mass: 251.08894 },\n            { nominal: 252, mass: 252.088967 },\n            { nominal: 253, mass: 253.0905641 },\n            { nominal: 254, mass: 254.090956 },\n            { nominal: 255, mass: 255.093191 },\n            { nominal: 256, mass: 256.0942829 },\n            { nominal: 257, mass: 257.0968878 },\n            { nominal: 258, mass: 258.09821 },\n            { nominal: 259, mass: 259.10103 },\n            { nominal: 260, mass: 260.10264 },\n            { nominal: 261, mass: 261.1057 },\n            { nominal: 262, mass: 262.10746 },\n            { nominal: 263, mass: 263.11071 },\n            { nominal: 264, mass: 264.11273 },\n        ],\n        symbol: 'No',\n        name: 'Nobelium',\n        mass: null,\n    },\n    {\n        number: 103,\n        isotopes: [\n            { nominal: 251, mass: 251.09418 },\n            { nominal: 252, mass: 252.09526 },\n            { nominal: 253, mass: 253.09509 },\n            { nominal: 254, mass: 254.09648 },\n            { nominal: 255, mass: 255.096562 },\n            { nominal: 256, mass: 256.098494 },\n            { nominal: 257, mass: 257.099418 },\n            { nominal: 258, mass: 258.10176 },\n            { nominal: 259, mass: 259.102902 },\n            { nominal: 260, mass: 260.1055 },\n            { nominal: 261, mass: 261.10688 },\n            { nominal: 262, mass: 262.10961 },\n            { nominal: 263, mass: 263.11136 },\n            { nominal: 264, mass: 264.1142 },\n            { nominal: 265, mass: 265.11619 },\n            { nominal: 266, mass: 266.11983 },\n        ],\n        symbol: 'Lr',\n        name: 'Lawrencium',\n        mass: null,\n    },\n    {\n        number: 104,\n        isotopes: [\n            { nominal: 253, mass: 253.10044 },\n            { nominal: 254, mass: 254.10005 },\n            { nominal: 255, mass: 255.10127 },\n            { nominal: 256, mass: 256.101152 },\n            { nominal: 257, mass: 257.102918 },\n            { nominal: 258, mass: 258.103428 },\n            { nominal: 259, mass: 259.105596 },\n            { nominal: 260, mass: 260.10644 },\n            { nominal: 261, mass: 261.108773 },\n            { nominal: 262, mass: 262.10992 },\n            { nominal: 263, mass: 263.11249 },\n            { nominal: 264, mass: 264.11388 },\n            { nominal: 265, mass: 265.11668 },\n            { nominal: 266, mass: 266.11817 },\n            { nominal: 267, mass: 267.12179 },\n            { nominal: 268, mass: 268.12397 },\n        ],\n        symbol: 'Rf',\n        name: 'Rutherfordium',\n        mass: null,\n    },\n    {\n        number: 105,\n        isotopes: [\n            { nominal: 255, mass: 255.10707 },\n            { nominal: 256, mass: 256.10789 },\n            { nominal: 257, mass: 257.10758 },\n            { nominal: 258, mass: 258.10928 },\n            { nominal: 259, mass: 259.109492 },\n            { nominal: 260, mass: 260.1113 },\n            { nominal: 261, mass: 261.11192 },\n            { nominal: 262, mass: 262.11407 },\n            { nominal: 263, mass: 263.11499 },\n            { nominal: 264, mass: 264.11741 },\n            { nominal: 265, mass: 265.11861 },\n            { nominal: 266, mass: 266.12103 },\n            { nominal: 267, mass: 267.12247 },\n            { nominal: 268, mass: 268.12567 },\n            { nominal: 269, mass: 269.12791 },\n            { nominal: 270, mass: 270.13136 },\n        ],\n        symbol: 'Db',\n        name: 'Dubnium',\n        mass: null,\n    },\n    {\n        number: 106,\n        isotopes: [\n            { nominal: 258, mass: 258.11298 },\n            { nominal: 259, mass: 259.1144 },\n            { nominal: 260, mass: 260.114384 },\n            { nominal: 261, mass: 261.115949 },\n            { nominal: 262, mass: 262.116337 },\n            { nominal: 263, mass: 263.11829 },\n            { nominal: 264, mass: 264.11893 },\n            { nominal: 265, mass: 265.12109 },\n            { nominal: 266, mass: 266.12198 },\n            { nominal: 267, mass: 267.12436 },\n            { nominal: 268, mass: 268.12539 },\n            { nominal: 269, mass: 269.12863 },\n            { nominal: 270, mass: 270.13043 },\n            { nominal: 271, mass: 271.13393 },\n            { nominal: 272, mass: 272.13589 },\n            { nominal: 273, mass: 273.13958 },\n        ],\n        symbol: 'Sg',\n        name: 'Seaborgium',\n        mass: null,\n    },\n    {\n        number: 107,\n        isotopes: [\n            { nominal: 260, mass: 260.12166 },\n            { nominal: 261, mass: 261.12145 },\n            { nominal: 262, mass: 262.12297 },\n            { nominal: 263, mass: 263.12292 },\n            { nominal: 264, mass: 264.12459 },\n            { nominal: 265, mass: 265.12491 },\n            { nominal: 266, mass: 266.12679 },\n            { nominal: 267, mass: 267.1275 },\n            { nominal: 268, mass: 268.12969 },\n            { nominal: 269, mass: 269.13042 },\n            { nominal: 270, mass: 270.13336 },\n            { nominal: 271, mass: 271.13526 },\n            { nominal: 272, mass: 272.13826 },\n            { nominal: 273, mass: 273.14024 },\n            { nominal: 274, mass: 274.14355 },\n            { nominal: 275, mass: 275.14567 },\n        ],\n        symbol: 'Bh',\n        name: 'Bohrium',\n        mass: null,\n    },\n    {\n        number: 108,\n        isotopes: [\n            { nominal: 263, mass: 263.12852 },\n            { nominal: 264, mass: 264.128357 },\n            { nominal: 265, mass: 265.129793 },\n            { nominal: 266, mass: 266.130046 },\n            { nominal: 267, mass: 267.13167 },\n            { nominal: 268, mass: 268.13186 },\n            { nominal: 269, mass: 269.13375 },\n            { nominal: 270, mass: 270.13429 },\n            { nominal: 271, mass: 271.13717 },\n            { nominal: 272, mass: 272.1385 },\n            { nominal: 273, mass: 273.14168 },\n            { nominal: 274, mass: 274.1433 },\n            { nominal: 275, mass: 275.14667 },\n            { nominal: 276, mass: 276.14846 },\n            { nominal: 277, mass: 277.1519 },\n        ],\n        symbol: 'Hs',\n        name: 'Hassium',\n        mass: null,\n    },\n    {\n        number: 109,\n        isotopes: [\n            { nominal: 265, mass: 265.136 },\n            { nominal: 266, mass: 266.13737 },\n            { nominal: 267, mass: 267.13719 },\n            { nominal: 268, mass: 268.13865 },\n            { nominal: 269, mass: 269.13882 },\n            { nominal: 270, mass: 270.14033 },\n            { nominal: 271, mass: 271.14074 },\n            { nominal: 272, mass: 272.14341 },\n            { nominal: 273, mass: 273.1444 },\n            { nominal: 274, mass: 274.14724 },\n            { nominal: 275, mass: 275.14882 },\n            { nominal: 276, mass: 276.15159 },\n            { nominal: 277, mass: 277.15327 },\n            { nominal: 278, mass: 278.15631 },\n            { nominal: 279, mass: 279.15808 },\n        ],\n        symbol: 'Mt',\n        name: 'Meitnerium',\n        mass: null,\n    },\n    {\n        number: 110,\n        isotopes: [\n            { nominal: 267, mass: 267.14377 },\n            { nominal: 268, mass: 268.14348 },\n            { nominal: 269, mass: 269.144752 },\n            { nominal: 270, mass: 270.144584 },\n            { nominal: 271, mass: 271.14595 },\n            { nominal: 272, mass: 272.14602 },\n            { nominal: 273, mass: 273.14856 },\n            { nominal: 274, mass: 274.14941 },\n            { nominal: 275, mass: 275.15203 },\n            { nominal: 276, mass: 276.15303 },\n            { nominal: 277, mass: 277.15591 },\n            { nominal: 278, mass: 278.15704 },\n            { nominal: 279, mass: 279.1601 },\n            { nominal: 280, mass: 280.16131 },\n            { nominal: 281, mass: 281.16451 },\n        ],\n        symbol: 'Ds',\n        name: 'Darmstadtium',\n        mass: null,\n    },\n    {\n        number: 111,\n        isotopes: [\n            { nominal: 272, mass: 272.15327 },\n            { nominal: 273, mass: 273.15313 },\n            { nominal: 274, mass: 274.15525 },\n            { nominal: 275, mass: 275.15594 },\n            { nominal: 276, mass: 276.15833 },\n            { nominal: 277, mass: 277.15907 },\n            { nominal: 278, mass: 278.16149 },\n            { nominal: 279, mass: 279.16272 },\n            { nominal: 280, mass: 280.16514 },\n            { nominal: 281, mass: 281.16636 },\n            { nominal: 282, mass: 282.16912 },\n            { nominal: 283, mass: 283.17054 },\n        ],\n        symbol: 'Rg',\n        name: 'Roentgenium',\n        mass: null,\n    },\n    {\n        number: 112,\n        isotopes: [\n            { nominal: 276, mass: 276.16141 },\n            { nominal: 277, mass: 277.16364 },\n            { nominal: 278, mass: 278.16416 },\n            { nominal: 279, mass: 279.16654 },\n            { nominal: 280, mass: 280.16715 },\n            { nominal: 281, mass: 281.16975 },\n            { nominal: 282, mass: 282.1705 },\n            { nominal: 283, mass: 283.17327 },\n            { nominal: 284, mass: 284.17416 },\n            { nominal: 285, mass: 285.17712 },\n        ],\n        symbol: 'Cn',\n        name: 'Copernicium',\n        mass: null,\n    },\n    {\n        number: 113,\n        isotopes: [\n            { nominal: 278, mass: 278.17058 },\n            { nominal: 279, mass: 279.17095 },\n            { nominal: 280, mass: 280.17293 },\n            { nominal: 281, mass: 281.17348 },\n            { nominal: 282, mass: 282.17567 },\n            { nominal: 283, mass: 283.17657 },\n            { nominal: 284, mass: 284.17873 },\n            { nominal: 285, mass: 285.17973 },\n            { nominal: 286, mass: 286.18221 },\n            { nominal: 287, mass: 287.18339 },\n        ],\n        symbol: 'Nh',\n        name: 'Nihonium',\n        mass: null,\n    },\n    {\n        number: 114,\n        isotopes: [\n            { nominal: 285, mass: 285.18364 },\n            { nominal: 286, mass: 286.18423 },\n            { nominal: 287, mass: 287.18678 },\n            { nominal: 288, mass: 288.18757 },\n            { nominal: 289, mass: 289.19042 },\n        ],\n        symbol: 'Fl',\n        name: 'Flerovium',\n        mass: null,\n    },\n    {\n        number: 115,\n        isotopes: [\n            { nominal: 287, mass: 287.1907 },\n            { nominal: 288, mass: 288.19274 },\n            { nominal: 289, mass: 289.19363 },\n            { nominal: 290, mass: 290.19598 },\n            { nominal: 291, mass: 291.19707 },\n        ],\n        symbol: 'Mc',\n        name: 'Moscovium',\n        mass: null,\n    },\n    {\n        number: 116,\n        isotopes: [\n            { nominal: 289, mass: 289.19816 },\n            { nominal: 290, mass: 290.19864 },\n            { nominal: 291, mass: 291.20108 },\n            { nominal: 292, mass: 292.20174 },\n            { nominal: 293, mass: 293.20449 },\n        ],\n        symbol: 'Lv',\n        name: 'Livermorium',\n        mass: null,\n    },\n    {\n        number: 117,\n        isotopes: [\n            { nominal: 291, mass: 291.20553 },\n            { nominal: 292, mass: 292.20746 },\n            { nominal: 293, mass: 293.20824 },\n            { nominal: 294, mass: 294.21046 },\n        ],\n        symbol: 'Ts',\n        name: 'Teennessine',\n        mass: null,\n    },\n    {\n        number: 118,\n        isotopes: [\n            { nominal: 293, mass: 293.21356 },\n            { nominal: 294, mass: 294.21392 },\n            { nominal: 295, mass: 295.21624 },\n        ],\n        symbol: 'Og',\n        name: 'Oganesson',\n        mass: null,\n    },\n];\n//# sourceMappingURL=elementsAndIsotopes.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.elements = void 0;\nconst elementsAndIsotopes_js_1 = require(\"./elementsAndIsotopes.js\");\nexports.elements = elementsAndIsotopes_js_1.elementsAndIsotopes.map((element) => ({\n    number: element.number,\n    symbol: element.symbol,\n    mass: element.mass,\n    name: element.name,\n    monoisotopicMass: element.monoisotopicMass,\n}));\n//# sourceMappingURL=elements.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.elementsAndIsotopesObject = void 0;\nconst elementsAndIsotopes_js_1 = require(\"./elementsAndIsotopes.js\");\nexports.elementsAndIsotopesObject = {};\nfor (const element of elementsAndIsotopes_js_1.elementsAndIsotopes) {\n    exports.elementsAndIsotopesObject[element.symbol] = element;\n}\n//# sourceMappingURL=elementsAndIsotopesObject.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.elementsAndStableIsotopes = void 0;\nconst elementsAndIsotopes_js_1 = require(\"./elementsAndIsotopes.js\");\nexports.elementsAndStableIsotopes = structuredClone(elementsAndIsotopes_js_1.elementsAndIsotopes);\nfor (const element of exports.elementsAndStableIsotopes) {\n    element.isotopes = element.isotopes.filter((i) => {\n        return typeof i.abundance === 'number' && i.abundance > 0;\n    });\n}\n//# sourceMappingURL=elementsAndStableIsotopes.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.elementsAndStableIsotopesObject = void 0;\nconst elementsAndStableIsotopes_js_1 = require(\"./elementsAndStableIsotopes.js\");\nexports.elementsAndStableIsotopesObject = {};\nfor (const element of elementsAndStableIsotopes_js_1.elementsAndStableIsotopes) {\n    exports.elementsAndStableIsotopesObject[element.symbol] = element;\n}\n//# sourceMappingURL=elementsAndStableIsotopesObject.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.elementsObject = void 0;\nconst elements_js_1 = require(\"./elements.js\");\nexports.elementsObject = {};\nfor (const element of elements_js_1.elements) {\n    exports.elementsObject[element.symbol] = element;\n}\n//# sourceMappingURL=elementsObject.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.isotopesObject = void 0;\nconst elementsAndIsotopesObject_js_1 = require(\"./elementsAndIsotopesObject.js\");\nexports.isotopesObject = {};\nfor (const [symbol, element] of Object.entries(elementsAndIsotopesObject_js_1.elementsAndIsotopesObject)) {\n    if (!element)\n        continue;\n    for (const isotope of element.isotopes) {\n        exports.isotopesObject[`${isotope.nominal}${symbol}`] = {\n            abundance: isotope.abundance,\n            mass: isotope.mass,\n        };\n    }\n}\n//# sourceMappingURL=isotopesObject.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.stableIsotopesObject = void 0;\nconst elementsAndIsotopes_js_1 = require(\"./elementsAndIsotopes.js\");\nexports.stableIsotopesObject = {};\nfor (const element of elementsAndIsotopes_js_1.elementsAndIsotopes) {\n    let abundance = 0;\n    let mostAbundant = 0;\n    for (const isotope of element.isotopes) {\n        if (typeof isotope.abundance === 'number' &&\n            isotope.abundance > abundance) {\n            abundance = isotope.abundance;\n            mostAbundant = isotope.nominal;\n        }\n    }\n    for (const isotope of element.isotopes) {\n        if (isotope.abundance === 0)\n            continue;\n        const entry = {\n            name: element.name,\n            mass: isotope.mass,\n            symbol: element.symbol,\n            mostAbundant: false,\n        };\n        if (isotope.nominal === mostAbundant) {\n            entry.mostAbundant = true;\n        }\n        exports.stableIsotopesObject[`${isotope.nominal}${element.symbol}`] = entry;\n    }\n}\n//# sourceMappingURL=stableIsotopesObject.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.unsaturationsObject = void 0;\nexports.unsaturationsObject = {\n    O: 0,\n    N: 1,\n    H: -1,\n    Na: -1,\n    K: -1,\n    Li: -1,\n    Ca: -2,\n    C: 2,\n    F: -1,\n    Si: 2,\n    Cl: -1,\n    Br: -1,\n    I: -1,\n    S: 0,\n    P: 1,\n};\n//# sourceMappingURL=unsaturationsObject.js.map","export const groups = [{\"symbol\":\"Abu\",\"name\":\"2-Aminobutyric acid diradical\",\"mf\":\"C4H7NO\",\"ocl\":{\"value\":\"dazHPBPOEgEInVZjcH@\",\"coordinates\":\"!Bb@I~@Ha}_c~H@m]}bGt\"},\"mass\":85.10463700109551,\"monoisotopicMass\":85.05276384961,\"unsaturation\":2,\"elements\":[{\"symbol\":\"C\",\"number\":4},{\"symbol\":\"H\",\"number\":7},{\"symbol\":\"N\",\"number\":1},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Acet\",\"name\":\"Acetyl\",\"mf\":\"C2H3O\",\"ocl\":{\"value\":\"gCaHDEeIi`@\",\"coordinates\":\"!BbOq~@Ha}\"},\"mass\":43.04469897995611,\"monoisotopicMass\":43.01838971626,\"unsaturation\":1,\"elements\":[{\"symbol\":\"C\",\"number\":2},{\"symbol\":\"H\",\"number\":3},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Acm\",\"name\":\"Acetamidomethyl\",\"mf\":\"C3H6NO\",\"ocl\":{\"value\":\"gGYHDPliJuS@@\",\"coordinates\":\"!BbOrH_Xc|_`BH_P\"},\"mass\":72.08596035030448,\"monoisotopicMass\":72.04493881738,\"unsaturation\":1,\"elements\":[{\"symbol\":\"C\",\"number\":3},{\"symbol\":\"H\",\"number\":6},{\"symbol\":\"N\",\"number\":1},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Adao\",\"name\":\"Adamantyloxy\",\"mf\":\"C10H15O\",\"ocl\":{\"value\":\"dc\\\\H`HAYRVeV^dUGZjjjj@@\",\"coordinates\":\"!B]BOXN`EP}CdB\\\\tbZ@Ijh~hRELdOBBp\"},\"mass\":151.2258752025074,\"monoisotopicMass\":151.11229010302,\"unsaturation\":5,\"elements\":[{\"symbol\":\"C\",\"number\":10},{\"symbol\":\"H\",\"number\":15},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Aib\",\"name\":\"alpha-Aminoisobutyric acid diradical\",\"mf\":\"C4H7NO\",\"ocl\":{\"value\":\"dazHPBPOGgEInfZj@@\",\"coordinates\":\"!Bb@I~@Ha}b@K|uwwWbGt\"},\"mass\":85.10463700109551,\"monoisotopicMass\":85.05276384961,\"unsaturation\":2,\"elements\":[{\"symbol\":\"C\",\"number\":4},{\"symbol\":\"H\",\"number\":7},{\"symbol\":\"N\",\"number\":1},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Ala\",\"name\":\"Alanine diradical\",\"mf\":\"C3H5NO\",\"kind\":\"aa\",\"oneLetter\":\"A\",\"alternativeOneLetter\":\"α\",\"ocl\":{\"value\":\"gNyDBaxmqR[fZjZ@\",\"coordinates\":\"!BbOr~@H`}bOr~Wxb}\"},\"mass\":71.07801959624871,\"monoisotopicMass\":71.03711378515,\"unsaturation\":2,\"elements\":[{\"symbol\":\"C\",\"number\":3},{\"symbol\":\"H\",\"number\":5},{\"symbol\":\"N\",\"number\":1},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Arg\",\"name\":\"Arginine diradical\",\"mf\":\"C6H12N4O\",\"kind\":\"aa\",\"oneLetter\":\"R\",\"alternativeOneLetter\":\"ρ\",\"ocl\":{\"value\":\"dkLhPBgSPOEgEInWUijjihr@@\",\"coordinates\":\"!Bb@I~@Ha}_c~H@m]}bGvHHa}b@I~@Ha}\"},\"mass\":156.18592219918227,\"monoisotopicMass\":156.10111102405,\"unsaturation\":4,\"elements\":[{\"symbol\":\"C\",\"number\":6},{\"symbol\":\"H\",\"number\":12},{\"symbol\":\"N\",\"number\":4},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Argp\",\"name\":\"Arginine triradical\",\"mf\":\"C6H11N4O\",\"ocl\":{\"value\":\"dglhpHpil@gWDEI[UYZfjji`T@\",\"coordinates\":\"!BbGvHGx@bGvH@ha}bOrH_Wxb@KW_Wx@bGt\"},\"mass\":155.1779814451265,\"monoisotopicMass\":155.09328599182,\"unsaturation\":5,\"elements\":[{\"symbol\":\"C\",\"number\":6},{\"symbol\":\"H\",\"number\":11},{\"symbol\":\"N\",\"number\":4},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Asn\",\"name\":\"Asparagine diradical\",\"mf\":\"C4H6N2O2\",\"kind\":\"aa\",\"oneLetter\":\"N\",\"alternativeOneLetter\":\"η\",\"ocl\":{\"value\":\"deeDPBeACqYqR[ezZjZL`@\",\"coordinates\":\"!BbGu~Ox`B_`BH_X`Bb@I~@Ha}\"},\"mass\":114.10280438280381,\"monoisotopicMass\":114.04292744137999,\"unsaturation\":4,\"elements\":[{\"symbol\":\"C\",\"number\":4},{\"symbol\":\"H\",\"number\":6},{\"symbol\":\"N\",\"number\":2},{\"symbol\":\"O\",\"number\":2}]},{\"symbol\":\"Asnp\",\"name\":\"Asparagine triradical\",\"mf\":\"C4H5N2O2\",\"ocl\":{\"value\":\"dmUDpH[E@IEqgqRVvVijjXi@@\",\"coordinates\":\"!Bb@JH_Wxb@JH_Wxb@KW_Wx@bGt\"},\"mass\":113.09486362874803,\"monoisotopicMass\":113.03510240915,\"unsaturation\":5,\"elements\":[{\"symbol\":\"C\",\"number\":4},{\"symbol\":\"H\",\"number\":5},{\"symbol\":\"N\",\"number\":2},{\"symbol\":\"O\",\"number\":2}]},{\"symbol\":\"Asp\",\"name\":\"Aspartic acid diradical\",\"mf\":\"C4H5NO3\",\"kind\":\"aa\",\"oneLetter\":\"D\",\"alternativeOneLetter\":\"δ\",\"ocl\":{\"value\":\"defLPBPYCqYqR[ezZjZL`@\",\"coordinates\":\"!BbGu~Ox`B_`BH_X`Bb@I~@Ha}\"},\"mass\":115.08756534162052,\"monoisotopicMass\":115.02694302429,\"unsaturation\":4,\"elements\":[{\"symbol\":\"C\",\"number\":4},{\"symbol\":\"H\",\"number\":5},{\"symbol\":\"N\",\"number\":1},{\"symbol\":\"O\",\"number\":3}]},{\"symbol\":\"Aspp\",\"name\":\"Aspartic acid triradical\",\"mf\":\"C4H4NO3\",\"ocl\":{\"value\":\"dmVLpFcE@IEqgqRVvVijjXi@@\",\"coordinates\":\"!Bb@JH_Wxb@JH_Wxb@KW_Wx@bGt\"},\"mass\":114.07962458756472,\"monoisotopicMass\":114.01911799206,\"unsaturation\":5,\"elements\":[{\"symbol\":\"C\",\"number\":4},{\"symbol\":\"H\",\"number\":4},{\"symbol\":\"N\",\"number\":1},{\"symbol\":\"O\",\"number\":3}]},{\"symbol\":\"Asu\",\"name\":\"alpha-Aminosuberic acid diradical\",\"mf\":\"C8H13NO3\",\"ocl\":{\"value\":\"dgnLPBP{CqYqR[euVfjjihr@@\",\"coordinates\":\"!BbGu~Ox`B_`BH_Xc|bOrH_X`BbGvHGx@bGt\"},\"mass\":171.19403496100773,\"monoisotopicMass\":171.08954328213002,\"unsaturation\":4,\"elements\":[{\"symbol\":\"C\",\"number\":8},{\"symbol\":\"H\",\"number\":13},{\"symbol\":\"N\",\"number\":1},{\"symbol\":\"O\",\"number\":3}]},{\"symbol\":\"Asup\",\"name\":\"alpha-Aminosuberic acid triradical\",\"mf\":\"C8H12NO3\",\"ocl\":{\"value\":\"do^LpEcG@IMqoqRVuUejZjjibT@\",\"coordinates\":\"!BbOrH_Wxb@JH_Xc|bGvHHa}_c~H@m]}_`BH_P\"},\"mass\":170.18609420695194,\"monoisotopicMass\":170.0817182499,\"unsaturation\":5,\"elements\":[{\"symbol\":\"C\",\"number\":8},{\"symbol\":\"H\",\"number\":12},{\"symbol\":\"N\",\"number\":1},{\"symbol\":\"O\",\"number\":3}]},{\"symbol\":\"Boc\",\"name\":\"t-Butoxycarbonyl\",\"mf\":\"C5H9O2\",\"ocl\":{\"value\":\"daxD`DpEeImjZj@@\",\"coordinates\":\"!B|Ou~_A||Ow}mC}_O@\"},\"mass\":101.12395611881479,\"monoisotopicMass\":101.06025452921,\"unsaturation\":1,\"elements\":[{\"symbol\":\"C\",\"number\":5},{\"symbol\":\"H\",\"number\":9},{\"symbol\":\"O\",\"number\":2}]},{\"symbol\":\"Bom\",\"name\":\"Benzyloxymethyl\",\"mf\":\"C8H9O\",\"ocl\":{\"value\":\"deTH`DAYRUYTYj`@@@\",\"coordinates\":\"!B|Gsp__A||Owp_Gy|Gwp_Wy\"},\"mass\":121.15675888470227,\"monoisotopicMass\":121.06533990964,\"unsaturation\":7,\"elements\":[{\"symbol\":\"C\",\"number\":8},{\"symbol\":\"H\",\"number\":9},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Brz\",\"name\":\"2-Bromobenzyloxycarbonyl\",\"mf\":\"C8H6BrO2\",\"ocl\":{\"value\":\"dcLDPDpEd\\\\QImYgWYjB@@@\",\"coordinates\":\"!Bb@I~@Hb}b@JH_X`B_c}~@Hb}bGu~Op\"},\"mass\":214.03586932736317,\"monoisotopicMass\":212.95511703252,\"unsaturation\":9,\"elements\":[{\"symbol\":\"C\",\"number\":8},{\"symbol\":\"H\",\"number\":6},{\"symbol\":\"Br\",\"number\":1},{\"symbol\":\"O\",\"number\":2}]},{\"symbol\":\"Bu\",\"name\":\"Butyl\",\"mf\":\"C4H9\",\"ocl\":{\"value\":\"gJPH@liJuP@\",\"coordinates\":\"!B@Fp@XpAl@FL\"},\"mass\":57.114410373442986,\"monoisotopicMass\":57.07042529007,\"unsaturation\":-1,\"elements\":[{\"symbol\":\"C\",\"number\":4},{\"symbol\":\"H\",\"number\":9}]},{\"symbol\":\"Bum\",\"name\":\"t-Butoxymethyl\",\"mf\":\"C5H11O\",\"ocl\":{\"value\":\"gNqHDEeIVjj`@\",\"coordinates\":\"!B@FL@[@AcXs|@Xvp@\"},\"mass\":87.14043270260808,\"monoisotopicMass\":87.08098997409999,\"unsaturation\":-1,\"elements\":[{\"symbol\":\"C\",\"number\":5},{\"symbol\":\"H\",\"number\":11},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Bz\",\"name\":\"Benzoyl\",\"mf\":\"C7H5O\",\"ocl\":{\"value\":\"didH`DAYR[e^FX@@@@\",\"coordinates\":\"!BbOq~@Ha}b@I~Oxa}bGu~Op\"},\"mass\":105.1142599717439,\"monoisotopicMass\":105.03403978072,\"unsaturation\":9,\"elements\":[{\"symbol\":\"C\",\"number\":7},{\"symbol\":\"H\",\"number\":5},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Bzl\",\"name\":\"Benzyl\",\"mf\":\"C7H7\",\"ocl\":{\"value\":\"daD@`@VTeeVz`@@@\",\"coordinates\":\"!B|Gsp_A|_gp_A}_g|\"},\"mass\":91.13073655553718,\"monoisotopicMass\":91.05477522561,\"unsaturation\":7,\"elements\":[{\"symbol\":\"C\",\"number\":7},{\"symbol\":\"H\",\"number\":7}]},{\"symbol\":\"Bn\",\"name\":\"Benzyl\",\"mf\":\"C7H7\",\"ocl\":{\"value\":\"daD@`@VTeeVz`@@@\",\"coordinates\":\"!B|Gsp_A|_gp_A}_g|\"},\"mass\":91.13073655553718,\"monoisotopicMass\":91.05477522561,\"unsaturation\":7,\"elements\":[{\"symbol\":\"C\",\"number\":7},{\"symbol\":\"H\",\"number\":7}]},{\"symbol\":\"Bzlo\",\"name\":\"Benzyloxy\",\"mf\":\"C7H7O\",\"ocl\":{\"value\":\"didH`HAYRUe^Fh@@@@\",\"coordinates\":\"!B|Gwp_OC}|Gq~_A}|Gu~_p\"},\"mass\":107.13014147985547,\"monoisotopicMass\":107.04968984518,\"unsaturation\":7,\"elements\":[{\"symbol\":\"C\",\"number\":7},{\"symbol\":\"H\",\"number\":7},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Cha\",\"name\":\"beta-Cyclohexylalanine diradical\",\"mf\":\"C9H15NO\",\"ocl\":{\"value\":\"dknHPBPOEgEInWe]NZjjjcH@\",\"coordinates\":\"!Bb@I~@Ha}_c~H@m]}bGvH@gxbGvH_Wx\"},\"mass\":153.22184251721796,\"monoisotopicMass\":153.11536410745,\"unsaturation\":4,\"elements\":[{\"symbol\":\"C\",\"number\":9},{\"symbol\":\"H\",\"number\":15},{\"symbol\":\"N\",\"number\":1},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Chxo\",\"name\":\"Cyclohexyloxy\",\"mf\":\"C6H11O\",\"ocl\":{\"value\":\"daDH`HAYRVU[jjj@@\",\"coordinates\":\"!B|Gsp_A|_gp_A}_g|\"},\"mass\":99.15116859934332,\"monoisotopicMass\":99.08098997409999,\"unsaturation\":1,\"elements\":[{\"symbol\":\"C\",\"number\":6},{\"symbol\":\"H\",\"number\":11},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Cit\",\"name\":\"Citrulline diradical\",\"mf\":\"C6H11N3O2\",\"ocl\":{\"value\":\"dkODPBdttOEgEInWUijjihr@@\",\"coordinates\":\"!Bb@I~@Ha}_c~H@m]}bGvHHa}b@I~@Ha}\"},\"mass\":157.170683157999,\"monoisotopicMass\":157.08512660696,\"unsaturation\":4,\"elements\":[{\"symbol\":\"C\",\"number\":6},{\"symbol\":\"H\",\"number\":11},{\"symbol\":\"N\",\"number\":3},{\"symbol\":\"O\",\"number\":2}]},{\"symbol\":\"Citp\",\"name\":\"Citrulline 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9A\",\"mf\":\"C10H11N4O7P\",\"kind\":\"NucleotideP\",\"oneLetter\":\"I\",\"ocl\":{\"value\":\"fakIs@INBvENJSghOFwaEqrIQQSYQJIRIMLyxMVuUUUTlsSTQDqBId@@\",\"coordinates\":\"!BNuSFPDlDTEHt_pHtP@H_TuPBOq_qopHBGtgD}D@RpPH_Wtw@aOTd}RtPCQ@@\"},\"mass\":330.1911165763972,\"monoisotopicMass\":330.03653570766,\"unsaturation\":14,\"elements\":[{\"symbol\":\"C\",\"number\":10},{\"symbol\":\"H\",\"number\":11},{\"symbol\":\"N\",\"number\":4},{\"symbol\":\"O\",\"number\":7},{\"symbol\":\"P\",\"number\":1}]},{\"symbol\":\"Pis\",\"name\":\"pseudouridine monophosphate diradical 9U\",\"mf\":\"C9H11N2O8P\",\"kind\":\"NucleotideP\",\"oneLetter\":\"P\",\"ocl\":{\"value\":\"ff}PK@OAaSbgIsTGc[pbxyDhhilheDiLv\\\\BVjjjfZffbHfHQL`@\",\"coordinates\":\"!BNuSFPDlDTEHt_pHtP@H_TuPBOpcbpXBGtSItuPSU@H_Wtw@`lFDuP\"},\"mass\":306.1663791810886,\"monoisotopicMass\":306.02530231837,\"unsaturation\":10,\"elements\":[{\"symbol\":\"C\",\"number\":9},{\"symbol\":\"H\",\"number\":11},{\"symbol\":\"N\",\"number\":2},{\"symbol\":\"O\",\"number\":8},{\"symbol\":\"P\",\"number\":1}]},{\"symbol\":\"Pqb\",\"name\":\"preQ0base 100G diradical (base)\",\"mf\":\"C7H5N5O\",\"kind\":\"Nucleotide\",\"oneLetter\":\"ψ\",\"ocl\":{\"value\":\"dk^h@DxYLLbbTTRekiujYj^`@\",\"coordinates\":\"!B|Gwp_Gy|Gwp_[lk_gp_Ag_wrYRs}|f\"},\"mass\":175.1477760289729,\"monoisotopicMass\":175.04940980287,\"unsaturation\":14,\"elements\":[{\"symbol\":\"C\",\"number\":7},{\"symbol\":\"H\",\"number\":5},{\"symbol\":\"N\",\"number\":5},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Pqg\",\"name\":\"preQ1base 101G diradical (base)\",\"mf\":\"C7H9N5O\",\"kind\":\"Nucleotide\",\"oneLetter\":\"∇\",\"ocl\":{\"value\":\"dk^h@DxYLLbbTTRckiUjYij`@\",\"coordinates\":\"!BWyfe[tlDWye_fXx@RpRe[wtHSuHH@a}\"},\"mass\":179.179539045196,\"monoisotopicMass\":179.08070993179,\"unsaturation\":10,\"elements\":[{\"symbol\":\"C\",\"number\":7},{\"symbol\":\"H\",\"number\":9},{\"symbol\":\"N\",\"number\":5},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Qba\",\"name\":\"Qbase 10G diradical (base)\",\"mf\":\"C12H15N5O3\",\"kind\":\"Nucleotide\",\"oneLetter\":\"∴\",\"ocl\":{\"value\":\"fbmi`@D\\\\EHpHyrJIQQJMJIPtyIPTmSMMUMUP@@\",\"coordinates\":\"!BRpQ_f^i`RpQKAEARzfA_f_pHtP@H_Pc|BGuPThxUCl{RtBYTd|\"},\"mass\":277.27967290184347,\"monoisotopicMass\":277.11748936431,\"unsaturation\":14,\"elements\":[{\"symbol\":\"C\",\"number\":12},{\"symbol\":\"H\",\"number\":15},{\"symbol\":\"N\",\"number\":5},{\"symbol\":\"O\",\"number\":3}]},{\"symbol\":\"Dgc\",\"name\":\"N2,7-dimethylguanosine cap (cap DMG) diradical 279553N\",\"mf\":\"C12H18N5O11P2\",\"kind\":\"Nucleotide\",\"oneLetter\":\"®\",\"ocl\":{\"value\":\"e`TZMBHIG@aihJNEHdlemck`OFspz|OgDJ\\\\bTTTvTRbTbRvbtfKGG`UPuUUUUJtuTmUTPaLHPfH@@\",\"coordinates\":\"!BvuPfpDnDtEK_t_rHtXBH_TwPbOr_IorHbGtgD}F@RxS|uxc|_]^OTh}RIlBH_]F@IqOQ`@A~_c|bH}RbGt\"},\"mass\":470.24625855539705,\"monoisotopicMass\":470.04780541440005,\"unsaturation\":13,\"elements\":[{\"symbol\":\"C\",\"number\":12},{\"symbol\":\"H\",\"number\":18},{\"symbol\":\"N\",\"number\":5},{\"symbol\":\"O\",\"number\":11},{\"symbol\":\"P\",\"number\":2}]},{\"symbol\":\"Dpa\",\"name\":\"5′-(3′-dephosphoacetyl-CoA) diradical 4155N\",\"mf\":\"C23H35N7O16P3S\",\"kind\":\"Nucleotide\",\"oneLetter\":\"♣\",\"ocl\":{\"value\":\"elz~@jDCHlemnSTLBAEKBjfckgbV]XpEfCpB|IoCtHZy{lbdvbbfrbTRdRNRdnTbefRTrRTdTRrFVfjjjj`V`bZjjfjZjZ`bbLSaRP@\",\"coordinates\":\"!BvtmKaMmKUMlfgto[tDw_cosWt]~H@dvObGv_F_sWbOpgKMG_R}m}bHa}HbOSX}M_cQw}G_OwzH_[wW_c~H_Wx@G{|bM]}bGvHGxbGu~Oxa}bOq~Oxa}_c~H_WxuwvH_P\"},\"mass\":790.5483266874629,\"monoisotopicMass\":790.1073852418399,\"unsaturation\":21,\"elements\":[{\"symbol\":\"C\",\"number\":23},{\"symbol\":\"H\",\"number\":35},{\"symbol\":\"N\",\"number\":7},{\"symbol\":\"O\",\"number\":16},{\"symbol\":\"P\",\"number\":3},{\"symbol\":\"S\",\"number\":1}]},{\"symbol\":\"Dpm\",\"name\":\"5′-(3′-dephosphomalonyl-CoA) diradical 4255N\",\"mf\":\"C24H35N7O18P3S\",\"kind\":\"Nucleotide\",\"oneLetter\":\"♥\",\"ocl\":{\"value\":\"efq~DjDCHlemnSTLBAEKBjfckgbV]XrzpEfCpB|IoCtHZy{lbdvbbfrbTRdRNRdnTbefRTrRTrdbbVPrtuUUUTBtDSUUTuSUSSTDTQb\\\\JR@@\",\"coordinates\":\"!BIlB_Ib[@pAe`zni`FALSF@A~FBq~OrpXbGveX@A~_c~OTa`lzf@_ha}_]_Q`MF@bOpXKA`loXbH__rHb@JHoX`B@m]}uwx@bGu~Ox`BbKvH@ha}_c~H@hb}b@JH_Xc|_`BH_X`B_`BHoP\"},\"mass\":834.5578724328346,\"monoisotopicMass\":834.0972144809799,\"unsaturation\":23,\"elements\":[{\"symbol\":\"C\",\"number\":24},{\"symbol\":\"H\",\"number\":35},{\"symbol\":\"N\",\"number\":7},{\"symbol\":\"O\",\"number\":18},{\"symbol\":\"P\",\"number\":3},{\"symbol\":\"S\",\"number\":1}]},{\"symbol\":\"Dsc\",\"name\":\"5′-(3′-dephosphosuccinyl-CoA) radical 4355N\",\"mf\":\"C25H37N7O18P3S\",\"kind\":\"Nucleotide\",\"oneLetter\":\"♦\",\"ocl\":{\"value\":\"eny~DjDCHlemnSTLBAEKBjfckgbV]XzvpOFCpB|IoCtHZy{lbdvbbfrbTRdRNRdnTbefRTrRTrTdTRrFVfjjjj`V`bZjjfjZjZfhHhcDxTd@@\",\"coordinates\":\"!B[~kjXFjiV[Ry|fcm}MtGwWctvH_]Q_c}KaGwWbGvN`H}MgrX@_gx@h`gKB\\\\lbGvOSX}M@m^H@gwWbGvH@ha}_Xc|bGxb@I~@Ha}b@JH_X`B_`BH_X`BbGvH@ha}_c~H@ha}b@I~@Ha}\"},\"mass\":848.5844898376815,\"monoisotopicMass\":848.11286454544,\"unsaturation\":23,\"elements\":[{\"symbol\":\"C\",\"number\":25},{\"symbol\":\"H\",\"number\":37},{\"symbol\":\"N\",\"number\":7},{\"symbol\":\"O\",\"number\":18},{\"symbol\":\"P\",\"number\":3},{\"symbol\":\"S\",\"number\":1}]},{\"symbol\":\"Dpc\",\"name\":\"5′-(3′-dephospho-CoA) radical 455N\",\"mf\":\"C21H32N7O13P2S\",\"kind\":\"Nucleotide\",\"oneLetter\":\"♠\",\"ocl\":{\"value\":\"ek_^KBDIG@nabYXJNEHdliemh\\\\QPEfspZ|CPcKmnrIQQSYQJIRIGIRWJQRsIJYIccpJkjjjjjAZBIjjjZijjBDIaBDq@@\",\"coordinates\":\"!B[zW[UI|YchAMc{vHcuJH@m~NbGuKvwvHb@JNwx}Rgqe}bHa}@h`gDr\\\\Sb@JOTh}R@m]~@@A~b@I~@H`B_X`_hb}_`CW@h`B_`BH@gx@upJH@gx@b@I~@@\"},\"mass\":684.5310558604504,\"monoisotopicMass\":684.1254042880199,\"unsaturation\":19,\"elements\":[{\"symbol\":\"C\",\"number\":21},{\"symbol\":\"H\",\"number\":32},{\"symbol\":\"N\",\"number\":7},{\"symbol\":\"O\",\"number\":13},{\"symbol\":\"P\",\"number\":2},{\"symbol\":\"S\",\"number\":1}]},{\"symbol\":\"Dpe\",\"name\":\"5′-diphosphate end 552N\",\"mf\":\"O3P\",\"kind\":\"Nucleotide\",\"oneLetter\":\"ϒ\",\"ocl\":{\"value\":\"gJQdebGF^Dx|duK@@\",\"coordinates\":\"!BbOq~@GxbGt\"},\"mass\":78.97197677137483,\"monoisotopicMass\":78.95850585713,\"unsaturation\":1,\"elements\":[{\"symbol\":\"O\",\"number\":3},{\"symbol\":\"P\",\"number\":1}]},{\"symbol\":\"Mgc\",\"name\":\"7-methylguanosine cap (cap 0) diradical 79553N\",\"mf\":\"C11H16N5O11P2\",\"kind\":\"Nucleotide\",\"oneLetter\":\"©\",\"ocl\":{\"value\":\"eohZMBHIG@aihJNEHdlemck`OFspz|GgDJ\\\\bTTTvTRbTbRvbtcXx|BjFjjjjiVfjejjHPfDHSD@@\",\"coordinates\":\"!BvuPfpDnDtEK_tPJHtXBH_TwPb@J_I`JHbGtgD}F@RxPBux`B_]^OTh}RIlBH_]F@IqOQ`@A~_c|BbHa}\"},\"mass\":456.2196411505502,\"monoisotopicMass\":456.03215534994,\"unsaturation\":13,\"elements\":[{\"symbol\":\"C\",\"number\":11},{\"symbol\":\"H\",\"number\":16},{\"symbol\":\"N\",\"number\":5},{\"symbol\":\"O\",\"number\":11},{\"symbol\":\"P\",\"number\":2}]},{\"symbol\":\"Gyy\",\"name\":\"guanylylated 5′ end (cap G) diradical 9553N\",\"mf\":\"C10H13N5O10P2\",\"kind\":\"Nucleotide\",\"oneLetter\":\"ϑ\",\"ocl\":{\"value\":\"fkhh`INCt\\\\J\\\\UENY{NCqmxM|EnNQJJJ[JIQJQHzIRLyxM^uUUUTkSULuQDSDHfP@\",\"coordinates\":\"!BvuPfpDnDtEK_tPJHtXBH_TwPb@J_I`JHbGtgD}F@RxPBux`B_]^OTh}R_`CQ`B\\\\StXA~@C}~@Gx\"},\"mass\":425.1856780673293,\"monoisotopicMass\":425.01376563368,\"unsaturation\":14,\"elements\":[{\"symbol\":\"C\",\"number\":10},{\"symbol\":\"H\",\"number\":13},{\"symbol\":\"N\",\"number\":5},{\"symbol\":\"O\",\"number\":10},{\"symbol\":\"P\",\"number\":2}]},{\"symbol\":\"Furp\",\"name\":\"furan phosphate radical\",\"mf\":\"C5H6O4P\",\"kind\":\"RNAp\",\"oneLetter\":\"⬠\",\"ocl\":{\"value\":\"dmtBPDpnAYcpRZ}eeYjii@@\",\"coordinates\":\"!BNvw|Vso|kUl{[So|PPAGuU\\\\z`pP\"},\"mass\":161.072705703704,\"monoisotopicMass\":161.00037067008,\"unsaturation\":5,\"elements\":[{\"symbol\":\"C\",\"number\":5},{\"symbol\":\"H\",\"number\":6},{\"symbol\":\"O\",\"number\":4},{\"symbol\":\"P\",\"number\":1}]},{\"symbol\":\"Phg\",\"ocl\":{\"value\":\"dcNHPBPOEgEInVuWYj`@@@\"},\"name\":\"Phenyl glycine diradical\",\"mf\":\"C8H7NO\",\"kind\":\"aa\",\"mass\":133.1475805880365,\"monoisotopicMass\":133.05276384961002,\"unsaturation\":10,\"elements\":[{\"symbol\":\"C\",\"number\":8},{\"symbol\":\"H\",\"number\":7},{\"symbol\":\"N\",\"number\":1},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Hpg\",\"ocl\":{\"value\":\"dknDPBPp|V\\\\Tfy[WWYj`@`@@\",\"coordinates\":\"!BbOq~@Ha}bOq~Oxa}bGwW_Wx?_c?W_Wx?\"},\"name\":\"4-hydroxyphenylglycine diradical\",\"mf\":\"C8H7NO2\",\"kind\":\"aa\",\"mass\":149.14698551235477,\"monoisotopicMass\":149.04767846918,\"unsaturation\":10,\"elements\":[{\"symbol\":\"C\",\"number\":8},{\"symbol\":\"H\",\"number\":7},{\"symbol\":\"N\",\"number\":1},{\"symbol\":\"O\",\"number\":2}]},{\"symbol\":\"Dpg\",\"ocl\":{\"value\":\"dg^LPBS[CqYqR[emYTyj`BH@@\",\"coordinates\":\"!BbOr~@Hb}bOr~Wxb}bKvWo[y_oe}HoY^}Uwt\"},\"name\":\"3,5-dihydroxyphenylglycine diradical\",\"mf\":\"C8H7NO3\",\"kind\":\"aa\",\"mass\":165.14639043667304,\"monoisotopicMass\":165.04259308875,\"unsaturation\":10,\"elements\":[{\"symbol\":\"C\",\"number\":8},{\"symbol\":\"H\",\"number\":7},{\"symbol\":\"N\",\"number\":1},{\"symbol\":\"O\",\"number\":3}]},{\"symbol\":\"T\",\"name\":\"Tritium\",\"mf\":\"[3H]\",\"ocl\":{\"value\":\"eFAAYhBLCEX@\",\"coordinates\":\"!B@@L\"},\"mass\":3.0160492779,\"monoisotopicMass\":3.0160492779,\"unsaturation\":-1,\"elements\":[{\"symbol\":\"H\",\"number\":1,\"isotope\":3}]}]","import { groups } from './groups';\n\nexport const groupsObject = {};\ngroups.forEach((e) => {\n  if (groupsObject[e.symbol]) {\n    // eslint-disable-next-line no-console\n    console.log(`The symbol ${e.symbol} is used more than once`);\n  }\n  groupsObject[e.symbol] = e;\n});\n","import { groupsObject } from './groupsObject.js';\n\n/**\n * Recreate a one letter sequence\n * @param {object} mf\n */\n\nexport function groupsToSequence(mf) {\n  mf = mf.replaceAll(/\\([^(]*\\)/g, '');\n  let parts = mf.split(/(?=[ A-Z])/);\n  let usefulParts = [];\n  for (let part of parts) {\n    if (part === ' ') {\n      usefulParts.push(' ');\n      continue;\n    }\n    if (!part.match(/^[A-Z][a-z]{2,6}/)) continue;\n    if (groupsObject[part] && groupsObject[part].oneLetter) {\n      usefulParts.push(groupsObject[part].oneLetter);\n    } else {\n      usefulParts.push('?');\n    }\n  }\n  return usefulParts.join('').replaceAll(/ +/g, ' ').trim();\n}\n","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.isMF = isMF;\nconst chemical_elements_1 = require(\"chemical-elements\");\nconst chemical_groups_1 = require(\"chemical-groups\");\nfunction isMF(mf) {\n    let tmpMF = mf.replaceAll(/[^A-Za-z]/g, '');\n    let parts = tmpMF.replaceAll(/([A-Za-z])(?=[A-Z])/g, '$1 ').split(' ');\n    for (let i = 0; i < parts.length; i++) {\n        if (!chemical_elements_1.elementsObject[parts[i]] && !chemical_groups_1.groupsObject[parts[i]]) {\n            return false;\n        }\n    }\n    return true;\n}\n//# sourceMappingURL=isMF.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.Style = void 0;\nexports.Style = {\n    SUPERIMPOSE: 'flex-direction: column;display: inline-flex;justify-content: center;text-align: left;vertical-align: middle;',\n    SUPERIMPOSE_SUP_SUB: 'line-height: 1; font-size: 70%',\n};\n//# sourceMappingURL=Style.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.toHtml = toHtml;\nconst Format_1 = require(\"../Format\");\nconst Style_1 = require(\"../Style\");\nfunction toHtml(lines) {\n    let html = [];\n    for (let line of lines) {\n        switch (line.kind) {\n            case Format_1.Format.SUBSCRIPT:\n                html.push(`<sub>${line.value}</sub>`);\n                break;\n            case Format_1.Format.SUPERSCRIPT:\n                html.push(`<sup>${line.value}</sup>`);\n                break;\n            case Format_1.Format.SUPERIMPOSE:\n                html.push(`<span style=\"${Style_1.Style.SUPERIMPOSE}\">`, `<sup style=\"${Style_1.Style.SUPERIMPOSE_SUP_SUB}\">${line.over}</sup>`, `<sub style=\"${Style_1.Style.SUPERIMPOSE_SUP_SUB}\">${line.under}</sub>`, '</span>');\n                break;\n            default:\n                html.push(line.value);\n        }\n    }\n    return html.join('');\n}\n//# sourceMappingURL=toHtml.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.ensureCase = ensureCase;\nconst chemical_elements_1 = require(\"chemical-elements\");\nconst elements = new Set(Object.keys(chemical_elements_1.elementsObject).sort((a, b) => b.length - a.length));\n/**\n * Ensure that the mf has been entered with capital letters and not only lowercase\n * If there is only lowercase we try to capitalize the mf\n * @param {string} mf\n */\nfunction ensureCase(mf) {\n    for (let i = 0; i < mf.length; i++) {\n        // eslint-disable-next-line unicorn/prefer-code-point\n        if (mf.charCodeAt(i) > 64 && mf.charCodeAt(i) < 91) {\n            return mf;\n        }\n    }\n    let parts = mf.replaceAll(/([a-z]*)([^a-z]*)/g, '$1 $2 ').split(/ +/);\n    for (let i = 0; i < parts.length; i++) {\n        if (parts[i].match(/^[a-z]$/)) {\n            parts[i] = parts[i].toUpperCase();\n        }\n        else if (parts[i].match(/^[a-z]+$/)) {\n            let newPart = '';\n            for (let j = 0; j < parts[i].length; j++) {\n                let two = parts[i].slice(j, j + 2);\n                let one = parts[i].charAt(j).toUpperCase();\n                if (['c', 'h', 'o', 'n'].includes(two.charAt(0)) &&\n                    ['h', 'o', 'n'].includes(two.charAt(1))) {\n                    newPart += two.toUpperCase();\n                    j++;\n                }\n                else {\n                    two = two.charAt(0).toUpperCase() + two.charAt(1);\n                    if (elements.has(two)) {\n                        newPart += two;\n                        j++;\n                    }\n                    else if (elements.has(one)) {\n                        newPart += one;\n                    }\n                    else {\n                        return mf;\n                    }\n                }\n            }\n            parts[i] = newPart;\n        }\n    }\n    return parts.join('');\n}\n//# sourceMappingURL=ensureCase.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.flatten = flatten;\nfunction flatten(parsed, options = {}) {\n    const { groupIdentical = false, limit = 100000 } = options;\n    if (parsed.length === 0)\n        return [''];\n    let parts = [];\n    let parenthesisLevel = 0;\n    let currentPart;\n    let comments = [];\n    for (const entry of parsed) {\n        if ((entry.kind === 'atom' ||\n            entry.kind === 'charge' ||\n            entry.kind === 'isotope' ||\n            entry.kind === 'openingParenthesis' ||\n            !currentPart) &&\n            parenthesisLevel === 0) {\n            currentPart = {\n                mf: '',\n                min: 1,\n                max: 1,\n            };\n            parts.push(currentPart);\n        }\n        switch (entry.kind) {\n            case 'atom':\n                currentPart.mf += entry.value;\n                break;\n            case 'isotope':\n                currentPart.mf += `[${entry.value.isotope}${entry.value.atom}]`;\n                break;\n            case 'multiplier':\n                currentPart.mf += entry.value;\n                break;\n            case 'multiplierRange':\n                if (parenthesisLevel !== 0) {\n                    throw new Error('Range definition inside parenthesis is not allowed.');\n                }\n                currentPart.min = entry.value.from;\n                currentPart.max = entry.value.to;\n                break;\n            case 'openingParenthesis':\n                parenthesisLevel++;\n                currentPart.mf += entry.value;\n                break;\n            case 'charge':\n                if (entry.value === 1) {\n                    currentPart.mf += '+';\n                }\n                else if (entry.value > 1) {\n                    currentPart.mf += `(+${entry.value})`;\n                }\n                else if (entry.value < 0) {\n                    currentPart.mf += `(${entry.value})`;\n                }\n                break;\n            case 'closingParenthesis':\n                parenthesisLevel--;\n                currentPart.mf += entry.value;\n                break;\n            case 'comment':\n                comments.push(entry.value);\n                break;\n            case 'text':\n                break;\n            default:\n                throw new Error(`Could not flatten the parsed MF. Unknown kind: ${entry.kind}`);\n        }\n    }\n    if (groupIdentical) {\n        parts = optimizeRanges(parts);\n    }\n    const mfs = createMFs(parts, comments.join(' '), limit);\n    return mfs;\n}\n/**\n * If we have many times the same mf we can combine them\n * This should only be applied if there are acutally some ranges\n */\nfunction optimizeRanges(parts) {\n    let newParts = [];\n    let mfsObject = {};\n    let hasRange = false;\n    for (const mf of parts) {\n        if (mf.min !== mf.max) {\n            hasRange = true;\n            break;\n        }\n    }\n    if (!hasRange)\n        return parts;\n    for (const mf of parts) {\n        if (!mfsObject[mf.mf]) {\n            mfsObject[mf.mf] = {\n                mf: mf.mf,\n                min: mf.min,\n                max: mf.max,\n            };\n            newParts.push(mfsObject[mf.mf]);\n        }\n        else {\n            mfsObject[mf.mf].min = mfsObject[mf.mf].min + mf.min;\n            mfsObject[mf.mf].max = mfsObject[mf.mf].max + mf.max;\n        }\n    }\n    return newParts;\n}\nfunction createMFs(parts, comment, limit) {\n    const currents = new Array(parts.length);\n    for (let i = 0; i < currents.length; i++) {\n        currents[i] = parts[i].min;\n    }\n    const mfs = [];\n    let position = 0;\n    while (position < currents.length) {\n        if (currents[position] < parts[position].max) {\n            mfs.push(getMF(parts, currents, comment));\n            currents[position]++;\n            for (let i = 0; i < position; i++) {\n                currents[i] = parts[i].min;\n            }\n            position = 0;\n        }\n        else {\n            position++;\n        }\n        if (mfs.length > limit) {\n            throw new Error(`MF.flatten generates too many fragments (over ${limit})`);\n        }\n    }\n    mfs.push(getMF(parts, currents, comment));\n    return mfs;\n}\nfunction getMF(parts, currents, comment) {\n    let mf = '';\n    for (let i = 0; i < parts.length; i++) {\n        if (currents[i] === 0) {\n            continue;\n        }\n        mf += parts[i].mf;\n        if (currents[i] !== 1) {\n            mf += currents[i];\n        }\n    }\n    if (comment)\n        mf += `$${comment}`;\n    return mf;\n}\n//# sourceMappingURL=flatten.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.getIsotopeRatioInfo = getIsotopeRatioInfo;\nconst chemical_elements_1 = require(\"chemical-elements\");\nfunction getIsotopeRatioInfo(value) {\n    let result = { mass: 0, monoisotopicMass: 0 };\n    let element = chemical_elements_1.elementsAndStableIsotopesObject[value.atom];\n    if (!element)\n        throw new Error(`Element not found: ${value.atom}`);\n    let isotopesArray = element.isotopes;\n    let ratios = normalize(value.ratio);\n    let max = Math.max(...ratios);\n    if (ratios.length > isotopesArray.length) {\n        throw new Error(`the number of specified ratios is bigger that the number of stable isotopes: ${value.atom}`);\n    }\n    for (let i = 0; i < ratios.length; i++) {\n        result.mass += ratios[i] * isotopesArray[i].mass;\n        if (max === ratios[i] && result.monoisotopicMass === 0) {\n            result.monoisotopicMass = isotopesArray[i].mass;\n        }\n    }\n    return result;\n}\nfunction normalize(array) {\n    let sum = array.reduce((prev, current) => prev + current, 0);\n    return array.map((a) => a / sum);\n}\n//# sourceMappingURL=getIsotopeRatioInfo.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.getEA = getEA;\nconst chemical_elements_1 = require(\"chemical-elements\");\nconst chemical_groups_1 = require(\"chemical-groups\");\nconst Kind_1 = require(\"../Kind\");\nconst getIsotopeRatioInfo_1 = require(\"./getIsotopeRatioInfo\");\n/**\n * @param {*} parts\n */\nfunction getEA(parts) {\n    let results = {};\n    for (let part of parts) {\n        for (let line of part) {\n            switch (line.kind) {\n                case Kind_1.Kind.ISOTOPE: {\n                    let isotope = chemical_elements_1.isotopesObject[line.value.isotope + line.value.atom];\n                    if (!isotope) {\n                        throw new Error(`Unknown isotope: ${line.value.isotope}${line.value.atom}`);\n                    }\n                    addMass(results, line.value.atom, isotope.mass * line.multiplier);\n                    break;\n                }\n                case Kind_1.Kind.ISOTOPE_RATIO: {\n                    let isotopeRatioInfo = (0, getIsotopeRatioInfo_1.getIsotopeRatioInfo)(line.value);\n                    addMass(results, line.value.atom, isotopeRatioInfo.mass * line.multiplier);\n                    break;\n                }\n                case Kind_1.Kind.ATOM: {\n                    let element = chemical_elements_1.elementsObject[line.value];\n                    if (!element) {\n                        element = chemical_groups_1.groupsObject[line.value];\n                        if (!element)\n                            throw new Error(`Unknown element: ${line.value}`);\n                        // need to explode group ????\n                    }\n                    addMass(results, line.value, element.mass * line.multiplier);\n                    break;\n                }\n                case Kind_1.Kind.CHARGE:\n                    break;\n                default:\n                    throw new Error('partToMF unhandled Kind: ', line.kind);\n            }\n        }\n    }\n    let eas = [];\n    let sum = 0;\n    for (let key in results) {\n        sum += results[key];\n        eas.push({\n            element: key,\n            mass: results[key],\n        });\n    }\n    for (const ea of eas) {\n        ea.ratio = ea.mass / sum;\n    }\n    return eas;\n}\nfunction addMass(results, atom, mass) {\n    if (!results[atom])\n        results[atom] = 0;\n    results[atom] += mass;\n}\n//# sourceMappingURL=getEA.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.getElements = getElements;\nconst chemical_elements_1 = require(\"chemical-elements\");\nconst Kind_1 = require(\"../Kind\");\n/**\n * @param {*} parts\n */\nfunction getElements(parts) {\n    const elements = [];\n    for (const part of parts) {\n        for (const line of part) {\n            let number = line.multiplier;\n            switch (line.kind) {\n                case Kind_1.Kind.ATOM: {\n                    let symbol = line.value;\n                    let element = chemical_elements_1.elementsObject[symbol];\n                    if (!element) {\n                        throw new Error(`element unknown: ${symbol} - ${line}`);\n                    }\n                    addElement(elements, { symbol, number });\n                    break;\n                }\n                case Kind_1.Kind.ISOTOPE: {\n                    let element = chemical_elements_1.elementsAndIsotopesObject[line.value.atom];\n                    if (!element) {\n                        throw new Error(`element unknown: ${part.value.atom} - ${line}`);\n                    }\n                    let isotope = element.isotopes.find((a) => a.nominal === line.value.isotope);\n                    if (!isotope) {\n                        throw new Error(`isotope unknown: ${line.value.isotope} - ${line}`);\n                    }\n                    addElement(elements, {\n                        symbol: line.value.atom,\n                        number,\n                        isotope: line.value.isotope,\n                    });\n                    break;\n                }\n                default:\n                    throw new Error(`unknown type: ${line.kind}`);\n            }\n        }\n    }\n    return elements;\n}\nfunction addElement(elements, newElement) {\n    for (let element of elements) {\n        if (element.symbol === newElement.symbol &&\n            element.isotope === newElement.isotope) {\n            element.number += newElement.number;\n            return;\n        }\n    }\n    elements.push(newElement);\n}\n//# sourceMappingURL=getElements.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.partToAtoms = partToAtoms;\nconst Kind_js_1 = require(\"../Kind.js\");\n/** @typedef {import('./partToAtoms.types').AtomsMap} AtomsMap */\n/**\n * Convert a MF part to a map of atoms\n * This procedure will suppress the isotopes !\n * This is mainly used to make queries\n * @returns {AtomsMap}\n */\nfunction partToAtoms(part) {\n    /** @type {AtomsMap} */\n    const atoms = {};\n    for (let line of part) {\n        switch (line.kind) {\n            case Kind_js_1.Kind.ISOTOPE:\n                if (!atoms[line.value.atom])\n                    atoms[line.value.atom] = 0;\n                atoms[line.value.atom] += line.multiplier;\n                break;\n            case Kind_js_1.Kind.ISOTOPE_RATIO:\n                if (!atoms[line.value.atom])\n                    atoms[line.value.atom] = 0;\n                atoms[line.value.atom] += line.multiplier;\n                break;\n            case Kind_js_1.Kind.ATOM:\n                if (!atoms[line.value])\n                    atoms[line.value] = 0;\n                atoms[line.value] += line.multiplier;\n                break;\n            case Kind_js_1.Kind.CHARGE:\n                break;\n            case Kind_js_1.Kind.ANCHOR:\n                break;\n            default:\n                throw new Error('partToMF unhandled Kind: ', line.kind);\n        }\n    }\n    return atoms;\n}\n//# sourceMappingURL=partToAtoms.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.partToMF = partToMF;\nconst Kind_1 = require(\"../Kind\");\nfunction partToMF(part, options = {}) {\n    let mf = [];\n    for (let line of part) {\n        switch (line.kind) {\n            case Kind_1.Kind.ISOTOPE:\n                if (line.multiplier !== 0) {\n                    mf.push(`[${line.value.isotope}${line.value.atom}]${line.multiplier !== 1 ? line.multiplier : ''}`);\n                }\n                break;\n            case Kind_1.Kind.ISOTOPE_RATIO:\n                if (line.multiplier !== 0) {\n                    mf.push(`${line.value.atom}{${line.value.ratio.join(',')}}${line.multiplier !== 1 ? line.multiplier : ''}`);\n                }\n                break;\n            case Kind_1.Kind.ATOM:\n                if (line.multiplier !== 0) {\n                    mf.push(line.value + (line.multiplier !== 1 ? line.multiplier : ''));\n                }\n                break;\n            case Kind_1.Kind.CHARGE:\n                if (line.value === 0 || options.neutral)\n                    break;\n                mf.push(`(${line.value > 0 ? `+${line.value}` : line.value})`);\n                break;\n            default:\n        }\n    }\n    return mf.join('');\n}\n//# sourceMappingURL=partToMF.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.getInfoInternal = getInfoInternal;\nconst chemical_elements_1 = require(\"chemical-elements\");\nconst chemical_groups_1 = require(\"chemical-groups\");\nconst Kind_1 = require(\"../Kind\");\nconst getIsotopeRatioInfo_1 = require(\"./getIsotopeRatioInfo\");\nconst partToAtoms_1 = require(\"./partToAtoms\");\nconst partToMF_1 = require(\"./partToMF\");\n/** @typedef {import('./getInfo.types').PartInfo} PartInfo */\n/** @typedef {import('./getInfo.types').PartInfoWithParts} PartInfoWithParts */\n/**\n *\n * @param {*} parts\n * @param {*} [options={}]\n * @returns {object|PartInfo|PartInfoWithParts}\n */\nfunction getInfoInternal(parts, options = {}) {\n    let { customUnsaturations = {}, emFieldName = 'monoisotopicMass', msemFieldName = 'observedMonoisotopicMass', } = options;\n    if (parts.length === 0)\n        return {};\n    if (parts.length === 1) {\n        return getProcessedPart(parts[0], {\n            customUnsaturations,\n            emFieldName,\n            msemFieldName,\n        });\n    }\n    let result = { parts: [] };\n    for (let part of parts) {\n        result.parts.push(getProcessedPart(part, {\n            customUnsaturations,\n            emFieldName,\n            msemFieldName,\n        }));\n    }\n    result[emFieldName] = 0;\n    result.mass = 0;\n    result.charge = 0;\n    result.unsaturation = 0;\n    result.atoms = {};\n    result.mf = result.parts.map((a) => a.mf).join('.');\n    for (const part of result.parts) {\n        result.mass += part.mass;\n        result[emFieldName] += part[emFieldName];\n        result.charge += part.charge;\n        result.unsaturation += part.unsaturation;\n        for (const atom in part.atoms) {\n            if (!result.atoms[atom]) {\n                result.atoms[atom] = 0;\n            }\n            result.atoms[atom] += part.atoms[atom];\n        }\n    }\n    return result;\n}\nfunction getProcessedPart(part, options) {\n    let { customUnsaturations, emFieldName, msemFieldName } = options;\n    /** @type {PartInfo} */\n    let currentPart = {\n        mass: 0,\n        charge: 0,\n        mf: '',\n        atoms: (0, partToAtoms_1.partToAtoms)(part),\n    };\n    currentPart[emFieldName] = 0;\n    let unsaturation = 0;\n    let validUnsaturation = true;\n    currentPart.mf = (0, partToMF_1.partToMF)(part);\n    for (let line of part) {\n        let currentElement = '';\n        switch (line.kind) {\n            case Kind_1.Kind.ATOM: {\n                currentElement = line.value;\n                let element = chemical_elements_1.elementsAndIsotopesObject[line.value];\n                // todo should we have a kind GROUP ?\n                if (!element) {\n                    element = chemical_groups_1.groupsObject[line.value];\n                    if (!element)\n                        throw new Error(`Unknown element: ${line.value}`);\n                    if (!customUnsaturations[line.value]) {\n                        customUnsaturations[line.value] = element.unsaturation;\n                    }\n                }\n                if (!element)\n                    throw new Error(`Unknown element: ${line.value}`);\n                currentPart[emFieldName] += element.monoisotopicMass * line.multiplier;\n                currentPart.mass += element.mass * line.multiplier;\n                break;\n            }\n            case Kind_1.Kind.ISOTOPE: {\n                currentElement = line.value.atom;\n                let isotope = chemical_elements_1.isotopesObject[line.value.isotope + line.value.atom];\n                if (!isotope) {\n                    throw new Error(`Unknown isotope: ${line.value.isotope}${line.value.atom}`);\n                }\n                currentPart[emFieldName] += isotope.mass * line.multiplier;\n                currentPart.mass += isotope.mass * line.multiplier;\n                break;\n            }\n            case Kind_1.Kind.ISOTOPE_RATIO: {\n                currentElement = line.value.atom;\n                let isotopeRatioInfo = (0, getIsotopeRatioInfo_1.getIsotopeRatioInfo)(line.value);\n                currentPart[emFieldName] +=\n                    isotopeRatioInfo[emFieldName] * line.multiplier;\n                currentPart.mass += isotopeRatioInfo.mass * line.multiplier;\n                break;\n            }\n            case Kind_1.Kind.CHARGE:\n                currentPart.charge = line.value;\n                if (validUnsaturation) {\n                    unsaturation -= line.value;\n                }\n                break;\n            default:\n                throw new Error('Unimplemented Kind in getInfo', line.kind);\n        }\n        if (currentElement) {\n            if (customUnsaturations[currentElement] !== undefined) {\n                unsaturation += customUnsaturations[currentElement] * line.multiplier;\n            }\n            else if (chemical_elements_1.unsaturationsObject[currentElement] !== undefined) {\n                unsaturation += chemical_elements_1.unsaturationsObject[currentElement] * line.multiplier;\n            }\n            else {\n                validUnsaturation = false;\n            }\n        }\n    }\n    // need to calculate the observedMonoisotopicMass\n    if (currentPart.charge) {\n        currentPart[msemFieldName] =\n            (currentPart[emFieldName] - currentPart.charge * chemical_elements_1.ELECTRON_MASS) /\n                Math.abs(currentPart.charge);\n    }\n    if (validUnsaturation) {\n        currentPart.unsaturation = unsaturation / 2 + 1;\n    }\n    return currentPart;\n}\n//# sourceMappingURL=getInfoInternal.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.getIsotopesInfo = getIsotopesInfo;\nconst chemical_elements_1 = require(\"chemical-elements\");\nconst Kind_1 = require(\"../Kind\");\n/** @typedef {import('./getIsotopesInfo.types').IsotopesInfo} IsotopesInfo\n\n/**\n *\n * @param {*} parts\n * @returns {[]|IsotopesInfo}\n */\nfunction getIsotopesInfo(parts) {\n    if (parts.length === 0)\n        return [];\n    if (parts.length > 1) {\n        throw new Error('getIsotopesInfo can not be applied on multipart MF');\n    }\n    return getProcessedPart(parts[0]);\n}\n/**\n * @returns {IsotopesInfo}\n */\nfunction getProcessedPart(part) {\n    /** @type {IsotopesInfo} */\n    let result = {\n        charge: 0,\n        isotopes: [],\n    };\n    for (let line of part) {\n        switch (line.kind) {\n            case Kind_1.Kind.ISOTOPE: {\n                let isotope = chemical_elements_1.isotopesObject[line.value.isotope + line.value.atom];\n                if (!isotope) {\n                    throw new Error('unknown isotope:', line.value.atom, line.value.isotope);\n                }\n                result.isotopes.push({\n                    atom: line.value.atom,\n                    number: line.multiplier,\n                    distribution: [{ x: isotope.mass, y: 1 }],\n                });\n                break;\n            }\n            case Kind_1.Kind.ISOTOPE_RATIO:\n                {\n                    let element = chemical_elements_1.elementsAndStableIsotopesObject[line.value.atom];\n                    if (!element)\n                        throw new Error('unknown element:', line.value);\n                    let distribution = getDistribution(element.isotopes, line.value.ratio);\n                    result.isotopes.push({\n                        atom: line.value.atom,\n                        number: line.multiplier,\n                        distribution,\n                    });\n                }\n                break;\n            case Kind_1.Kind.ATOM: {\n                let element = chemical_elements_1.elementsAndStableIsotopesObject[line.value];\n                if (!element)\n                    throw new Error('unknown element:', line.value);\n                result.isotopes.push({\n                    atom: line.value,\n                    number: line.multiplier,\n                    distribution: element.isotopes.map((e) => ({\n                        x: e.mass,\n                        y: e.abundance,\n                    })),\n                });\n                break;\n            }\n            case Kind_1.Kind.CHARGE:\n                result.charge += line.value;\n                break;\n            default:\n                throw new Error('partToMF unhandled Kind: ', line.kind);\n        }\n    }\n    return result;\n}\nfunction getDistribution(isotopesArray, ratio) {\n    let ratios = normalize(ratio);\n    let result = [];\n    if (ratios.length > isotopesArray.length) {\n        throw new Error(`the number of specified ratios is bigger that the number of stable isotopes: ${chemical_elements_1.isotopesObject}`);\n    }\n    for (let i = 0; i < ratios.length; i++) {\n        result.push({\n            x: isotopesArray[i].mass,\n            y: ratios[i],\n        });\n    }\n    return result;\n}\nfunction normalize(array) {\n    let sum = array.reduce((prev, current) => prev + current, 0);\n    return array.map((a) => a / sum);\n}\n//# sourceMappingURL=getIsotopesInfo.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.partsToDisplay = partsToDisplay;\nconst Kind_1 = require(\"../Kind\");\nconst toDisplay_js_1 = require(\"./toDisplay.js\");\n/**\n * Converts an array of mf elements to an array of formatting information\n * @param {Array<Object>} result of the parse method\n */\nfunction partsToDisplay(parts) {\n    let lines = [];\n    for (let part of parts) {\n        if (lines.length > 0)\n            lines.push({ kind: Kind_1.Kind.SALT, value: '•' });\n        for (let partLine of part) {\n            lines.push(partLine);\n            if (partLine.multiplier) {\n                lines.push({\n                    kind: Kind_1.Kind.MULTIPLIER,\n                    value: partLine.multiplier,\n                });\n            }\n        }\n    }\n    return (0, toDisplay_js_1.toDisplay)(lines);\n}\n//# sourceMappingURL=partsToDisplay.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.partsToMF = partsToMF;\nconst partToMF_1 = require(\"./partToMF\");\nfunction partsToMF(parts, options) {\n    let mf = [];\n    for (let part of parts) {\n        mf.push((0, partToMF_1.partToMF)(part, options));\n    }\n    return mf.join(' . ');\n}\n//# sourceMappingURL=partsToMF.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.atomSorter = atomSorter;\n/**\n * Implementation of the Hill system for sorting atoms\n * https://en.wikipedia.org/wiki/Chemical_formula#Hill_system\n * @param a - first atom to compare\n * @param b - second atom to compare\n * @returns A value suitable for use in Array.prototype.sort.\n */\nfunction atomSorter(a, b) {\n    if (a === b)\n        return 0;\n    if (a === 'C')\n        return -1;\n    if (b === 'C')\n        return 1;\n    if (a === 'H')\n        return -1;\n    if (b === 'H')\n        return 1;\n    if (a < b)\n        return -1;\n    return 1;\n}\n//# sourceMappingURL=index.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.toParts = toParts;\nconst atom_sorter_1 = require(\"atom-sorter\");\nconst chemical_groups_1 = require(\"chemical-groups\");\nconst Kind_1 = require(\"../Kind\");\n/**\n *\n * @param {*} lines\n * @param {object} [options={}]\n * @param {boolean} [options.expand=true] - Should we expand the groupsObject\n */\nfunction toParts(lines, options = {}) {\n    const { expand: shouldExpandgroupsObject = true } = options;\n    let parts = [];\n    let currentPart = createNewPart();\n    let previousKind = Kind_1.Kind.BEGIN;\n    parts.push(currentPart);\n    for (let line of lines) {\n        switch (line.kind) {\n            case Kind_1.Kind.ATOM:\n            case Kind_1.Kind.ISOTOPE_RATIO:\n            case Kind_1.Kind.ISOTOPE:\n            case Kind_1.Kind.CHARGE:\n                currentPart.lines.push({ ...line, multiplier: 1 });\n                break;\n            case Kind_1.Kind.OPENING_PARENTHESIS:\n                openingParenthesis(currentPart);\n                break;\n            case Kind_1.Kind.CLOSING_PARENTHESIS:\n                closingParenthesis(currentPart);\n                break;\n            case Kind_1.Kind.PRE_MULTIPLIER:\n                preMultiplier(currentPart, line);\n                break;\n            case Kind_1.Kind.MULTIPLIER:\n                postMultiplier(currentPart, line.value, previousKind);\n                break;\n            case Kind_1.Kind.SALT:\n                globalPartMultiplier(currentPart);\n                currentPart = createNewPart();\n                parts.push(currentPart);\n                break;\n            case Kind_1.Kind.ANCHOR: // we ignore anchors to create the parts and canonized MF\n                break;\n            case Kind_1.Kind.COMMENT: // we ignore comments to create the parts and canonized MF\n                break;\n            case Kind_1.Kind.TEXT:\n                break;\n            default:\n                throw new Error(`Can not process mf having: ${line.kind}`);\n        }\n        previousKind = line.kind;\n    }\n    globalPartMultiplier(currentPart);\n    if (shouldExpandgroupsObject)\n        expandgroupsObject(parts);\n    return combineAtomsIsotopesCharges(parts);\n}\nfunction createNewPart() {\n    let currentMultiplier = { value: 1, fromIndex: 0 };\n    return { lines: [], multipliers: [currentMultiplier], currentMultiplier };\n}\nfunction openingParenthesis(currentPart) {\n    currentPart.currentMultiplier = {\n        value: 1,\n        fromIndex: currentPart.lines.length,\n    };\n    currentPart.multipliers.push(currentPart.currentMultiplier);\n}\nfunction closingParenthesis(currentPart) {\n    currentPart.currentMultiplier = currentPart.multipliers.pop();\n    if (currentPart.currentMultiplier !== 1) {\n        for (let i = currentPart.currentMultiplier.fromIndex; i < currentPart.lines.length; i++) {\n            currentPart.lines[i].multiplier *= currentPart.currentMultiplier.value;\n        }\n    }\n}\nfunction preMultiplier(currentPart, line) {\n    currentPart.currentMultiplier.value *= line.value;\n}\nfunction globalPartMultiplier(currentPart) {\n    for (let i = currentPart.multipliers[0].fromIndex; i < currentPart.lines.length; i++) {\n        currentPart.lines[i].multiplier *= currentPart.multipliers[0].value;\n    }\n}\nfunction postMultiplier(currentPart, value, previousKind) {\n    if (previousKind === Kind_1.Kind.CLOSING_PARENTHESIS) {\n        // need to apply to everything till the previous parenthesis\n        for (let i = currentPart.currentMultiplier.fromIndex; i < currentPart.lines.length; i++) {\n            currentPart.lines[i].multiplier *= value;\n        }\n    }\n    else {\n        // just applies to the previous element\n        currentPart.lines.at(-1).multiplier *= value;\n    }\n}\nfunction expandgroupsObject(parts) {\n    for (let part of parts) {\n        let expanded = false;\n        for (let i = 0; i < part.lines.length; i++) {\n            let line = part.lines[i];\n            if (line.kind === Kind_1.Kind.ATOM) {\n                let group = chemical_groups_1.groupsObject[line.value];\n                if (group) {\n                    expanded = true;\n                    for (let element of group.elements) {\n                        if (element.isotope) {\n                            part.lines.push({\n                                kind: 'isotope',\n                                value: { atom: element.symbol, isotope: element.isotope },\n                                multiplier: line.multiplier * element.number,\n                            });\n                        }\n                        else {\n                            part.lines.push({\n                                kind: 'atom',\n                                value: element.symbol,\n                                multiplier: line.multiplier * element.number,\n                            });\n                        }\n                    }\n                    part.lines[i] = undefined;\n                }\n            }\n        }\n        if (expanded)\n            part.lines = part.lines.filter(Boolean);\n    }\n}\nfunction combineAtomsIsotopesCharges(parts) {\n    let results = [];\n    for (let part of parts) {\n        let result = [];\n        results.push(result);\n        calculateAndSortKeys(part);\n        let currentKey = '';\n        for (let key of part.keys) {\n            if (key.key === Kind_1.Kind.CHARGE) {\n                if (currentKey !== key.key) {\n                    result.push({\n                        kind: Kind_1.Kind.CHARGE,\n                        value: key.value.value * key.value.multiplier,\n                    });\n                }\n                else {\n                    result.at(-1).value += key.value.value * key.value.multiplier;\n                }\n            }\n            else if (currentKey !== key.key) {\n                result.push(key.value);\n            }\n            else {\n                result.at(-1).multiplier += key.value.multiplier;\n            }\n            currentKey = key.key;\n        }\n        result.sort((a, b) => {\n            if (a.kind === Kind_1.Kind.CHARGE)\n                return 1;\n            if (b.kind === Kind_1.Kind.CHARGE)\n                return -1;\n            let atomA = a.kind === Kind_1.Kind.ATOM ? a.value : a.value.atom;\n            let atomB = b.kind === Kind_1.Kind.ATOM ? b.value : b.value.atom;\n            if (atomA !== atomB)\n                return (0, atom_sorter_1.atomSorter)(atomA, atomB);\n            // same atome but some isotopes ...\n            if (a.kind === Kind_1.Kind.ATOM)\n                return -1;\n            if (b.kind === Kind_1.Kind.ATOM)\n                return 1;\n            if (a.kind === Kind_1.Kind.ISOTOPE)\n                return -1;\n            if (b.kind === Kind_1.Kind.ISOTOPE)\n                return 1;\n            if (a.kind === Kind_1.Kind.ISOTOPE_RATIO)\n                return -1;\n            if (b.kind === Kind_1.Kind.ISOTOPE_RATIO)\n                return 1;\n            return 0;\n        });\n    }\n    return results;\n}\nfunction calculateAndSortKeys(part) {\n    part.keys = [];\n    for (let line of part.lines) {\n        part.keys.push({ key: getKey(line), value: line });\n    }\n    part.keys.sort((a, b) => stringComparator(a.key, b.key));\n}\nfunction getKey(line) {\n    let key = [line.kind];\n    switch (line.kind) {\n        case Kind_1.Kind.CHARGE:\n            break;\n        default:\n            if (typeof line.value === 'string') {\n                key.push(line.value);\n            }\n            else {\n                for (let prop of Object.keys(line.value).sort()) {\n                    key.push(line.value[prop]);\n                }\n            }\n    }\n    return key.join('-');\n}\nfunction stringComparator(a, b) {\n    if (a < b)\n        return -1;\n    if (a > b)\n        return 1;\n    return 0;\n}\n//# sourceMappingURL=toParts.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.toText = toText;\nconst Format_1 = require(\"../Format\");\nconst subSuperscript_1 = require(\"./subSuperscript\");\nfunction toText(lines) {\n    let text = [];\n    for (let line of lines) {\n        switch (line.kind) {\n            case Format_1.Format.SUBSCRIPT:\n                {\n                    const value = String(line.value);\n                    for (let i = 0; i < value.length; i++) {\n                        const char = value[i];\n                        if (subSuperscript_1.subscript[char]) {\n                            text.push(subSuperscript_1.subscript[char]);\n                        }\n                        else {\n                            throw new Error(`Subscript problem with: ${char}`);\n                        }\n                    }\n                }\n                break;\n            case Format_1.Format.SUPERSCRIPT: {\n                const value = String(line.value);\n                for (let i = 0; i < value.length; i++) {\n                    const char = value[i];\n                    if (subSuperscript_1.superscript[char]) {\n                        text.push(subSuperscript_1.superscript[char]);\n                    }\n                    else {\n                        throw new Error(`Superscript problem with: ${char}`);\n                    }\n                }\n                break;\n            }\n            case Format_1.Format.SUPERIMPOSE: {\n                const under = String(line.under);\n                for (let i = 0; i < under.length; i++) {\n                    const char = under[i];\n                    if (subSuperscript_1.subscript[char]) {\n                        text.push(subSuperscript_1.subscript[char]);\n                    }\n                    else {\n                        throw new Error(`Subscript problem with: ${char}`);\n                    }\n                }\n                const over = String(line.over);\n                for (let i = 0; i < over.length; i++) {\n                    const char = over[i];\n                    if (subSuperscript_1.superscript[char]) {\n                        text.push(subSuperscript_1.superscript[char]);\n                    }\n                    else {\n                        throw new Error(`Superscript problem with: ${char}`);\n                    }\n                }\n                break;\n            }\n            default:\n                text.push(line.value);\n        }\n    }\n    return text.join('');\n}\n//# sourceMappingURL=toText.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.MFInternal = void 0;\nconst ensureCase_1 = require(\"./ensureCase\");\nconst parse_1 = require(\"./parse\");\nconst flatten_1 = require(\"./util/flatten\");\nconst getEA_1 = require(\"./util/getEA\");\nconst getElements_1 = require(\"./util/getElements\");\nconst getInfo_1 = require(\"./util/getInfo\");\nconst getIsotopesInfo_1 = require(\"./util/getIsotopesInfo\");\nconst partsToDisplay_1 = require(\"./util/partsToDisplay\");\nconst partsToMF_1 = require(\"./util/partsToMF\");\nconst toDisplay_1 = require(\"./util/toDisplay\");\nconst toHtml_1 = require(\"./util/toHtml\");\nconst toParts_1 = require(\"./util/toParts\");\nconst toText_1 = require(\"./util/toText\");\n/** @typedef {import('./util/getIsotopesInfo.types').IsotopesInfo} IsotopesInfo */\n/** @typedef {import('./util/getInfo.types').PartInfo} PartInfo */\n/** @typedef {import('./util/getInfo.types').PartInfoWithParts} PartInfoWithParts */\n/**\n * Class allowing to deal with molecular formula and derived information\n */\nclass MFInternal {\n    constructor(mf, options = {}) {\n        if (options.ensureCase) {\n            mf = (0, ensureCase_1.ensureCase)(mf);\n        }\n        this.parsed = (0, parse_1.parse)(mf);\n        this.cache = {};\n    }\n    /**\n     * Returns an array of objects with kind and value that can be used to easily\n     * display the molecular formula.\n     * @returns {{kind: string, value: string}[]}\n     */\n    toDisplay() {\n        if (!this.cache.displayed)\n            this.cache.displayed = (0, toDisplay_1.toDisplay)(this.parsed);\n        return this.cache.displayed;\n    }\n    /**\n     * Returns a string that represents the molecular formula adding subscript and superscript in HTML.\n     * @returns {string}\n     */\n    toHtml() {\n        if (!this.cache.html) {\n            this.toDisplay();\n            this.cache.html = (0, toHtml_1.toHtml)(this.cache.displayed);\n        }\n        return this.cache.html;\n    }\n    /**\n     * Returns a string that represents the molecular formula adding subscript and superscript\n     * using Unicode characters. This can not be parsed anymore so kind of dead end ...\n     * @returns {string}\n     */\n    toText() {\n        if (!this.cache.text) {\n            this.toDisplay();\n            this.cache.text = (0, toText_1.toText)(this.cache.displayed);\n        }\n        return this.cache.text;\n    }\n    /**\n     * Similar to toText but returns a canonic string in which the atoms are sorted using the Hill system\n     * @returns {string}\n     */\n    toCanonicText() {\n        if (!this.cache.canonicText) {\n            this.cache.canonicText = new MFInternal(this.toMF()).toText();\n        }\n        return this.cache.canonicText;\n    }\n    toParts(options) {\n        if (!this.cache.parts) {\n            this.cache.parts = (0, toParts_1.toParts)(this.parsed, options);\n        }\n        return this.cache.parts;\n    }\n    /**\n     * Returns an object with the global MF, global charge, monoisotopic mass and mass\n     * as well as the same information for all the parts\n     * @param {object} [options={}] options\n     * @param {object} [options.customUnsaturations={}] custom unsaturations\n     * @param {string} [options.emFieldName='monoisotopicMass'] name of the monoisotopic mass field\n     * @param {string} [options.msemFieldName='observedMonoisotopicMass'] name of the observed monoisotopic mass field\n     * @returns {PartInfo|PartInfoWithParts}\n     */\n    getInfo(options = {}) {\n        if (!this.cache.info) {\n            this.toParts();\n            this.cache.info = (0, getInfo_1.getInfo)(this.cache.parts, options);\n        }\n        return this.cache.info;\n    }\n    /**\n     * Returns an object with the elemental analysis\n     * @returns {*[]}\n     */\n    getEA() {\n        if (!this.cache.ea) {\n            this.toParts();\n            this.cache.ea = (0, getEA_1.getEA)(this.cache.parts);\n        }\n        return this.cache.ea;\n    }\n    /**\n     * Get the different elements for each part\n     * @returns {*[]}\n     */\n    getElements() {\n        if (!this.cache.elements) {\n            this.toParts();\n            this.cache.elements = (0, getElements_1.getElements)(this.cache.parts);\n        }\n        return this.cache.elements;\n    }\n    /**\n     * Returns an array with each atom and isotopic composition\n     * @returns {IsotopesInfo}\n     */\n    getIsotopesInfo(options = {}) {\n        if (!this.cache.isotopesInfo) {\n            this.toParts();\n            this.cache.isotopesInfo = (0, getIsotopesInfo_1.getIsotopesInfo)(this.cache.parts, options);\n        }\n        return this.cache.isotopesInfo;\n    }\n    /**\n     * Get a canonized MF\n     * @returns {string}\n     */\n    toMF() {\n        if (!this.cache.mf) {\n            this.toParts();\n            this.cache.mf = (0, partsToMF_1.partsToMF)(this.cache.parts);\n        }\n        return this.cache.mf;\n    }\n    /**\n     * Get a canonized MF\n     * @returns {string}\n     */\n    toNeutralMF() {\n        if (!this.cache.neutralMF) {\n            this.toParts();\n            this.cache.neutralMF = (0, partsToMF_1.partsToMF)(this.cache.parts, { neutral: true });\n        }\n        return this.cache.neutralMF;\n    }\n    canonize() {\n        this.toParts();\n        this.cache.displayed = (0, partsToDisplay_1.partsToDisplay)(this.cache.parts);\n        this.cache.html = undefined;\n    }\n    flatten(options) {\n        return (0, flatten_1.flatten)(this.parsed, options);\n    }\n}\nexports.MFInternal = MFInternal;\n//# sourceMappingURL=MFInternal.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.MF = void 0;\nconst MFInternal_1 = require(\"./MFInternal\");\nclass MF {\n    internal;\n    constructor(mf, options = {}) {\n        this.internal = new MFInternal_1.MFInternal(mf, options);\n    }\n    /**\n     * Returns an array of objects with kind and value that can be used to easily\n     * display the molecular formula.\n     */\n    toDisplay() {\n        return this.internal.toDisplay();\n    }\n    /**\n     * Returns a string that represents the molecular formula adding subscript and superscript in HTML.\n     */\n    toHtml() {\n        return this.internal.toHtml();\n    }\n    /**\n     * Returns a string that represents the molecular formula adding subscript and superscript\n     * using Unicode characters. This can not be parsed anymore so kind of dead end ...\n     */\n    toText() {\n        return this.internal.toText();\n    }\n    /**\n     * Similar to toText but returns a canonic string in which the atoms are sorted using the Hill system\n     */\n    toCanonicText() {\n        return this.internal.toCanonicText();\n    }\n    toParts(options) {\n        return this.internal.toParts(options);\n    }\n    /**\n     * Returns an object with the global MF, global charge, monoisotopic mass and mass\n     * as well as the same information for all the parts\n     */\n    getInfo(options) {\n        return this.internal.getInfo(options);\n    }\n    /**\n     * Returns an object with the elemental analysis\n     */\n    getEA() {\n        return this.internal.getEA();\n    }\n    /**\n     * Get the different elements for each part\n     */\n    getElements() {\n        return this.internal.getElements();\n    }\n    /**\n     * Returns an array with each atom and isotopic composition\n     */\n    getIsotopesInfo(options = {}) {\n        return this.internal.getIsotopesInfo(options);\n    }\n    /**\n     * Get a canonized parsable Molecule Formula\n     */\n    toMF() {\n        return this.internal.toMF();\n    }\n    /**\n     * Get a canonized MF\n     */\n    toNeutralMF() {\n        return this.internal.toNeutralMF();\n    }\n    canonize() {\n        return this.internal.canonize();\n    }\n    flatten(options) {\n        return this.internal.flatten(options);\n    }\n}\nexports.MF = MF;\n//# sourceMappingURL=MF.js.map","\"use strict\";\nObject.defineProperty(exports, \"__esModule\", { value: true });\nexports.parseToHtml = parseToHtml;\nconst parse_js_1 = require(\"./parse.js\");\nconst toDisplay_js_1 = require(\"./util/toDisplay.js\");\nconst toHtml_js_1 = require(\"./util/toHtml.js\");\n/**\n * Parse a molecular formula and converts it to an HTML code\n * @param {String} mf String containing the molecular formula\n */\nfunction parseToHtml(mf) {\n    let parsed = (0, parse_js_1.parse)(mf);\n    let display = (0, toDisplay_js_1.toDisplay)(parsed);\n    return (0, toHtml_js_1.toHtml)(display);\n}\n//# sourceMappingURL=parseToHtml.js.map","import { MF } from 'mf-parser';\n\nexport function applyLockMass(chromatogram, mfs, options = {}) {\n  const { oddReference = true, maxShift = 0.1 } = options;\n\n  // allows mf as string or array\n  if (typeof mfs === 'string') {\n    mfs = [mfs];\n  }\n\n  // calculate the mass reference values\n  const referenceMass = mfs.map((mf) => {\n    let info = new MF(mf).getInfo();\n    return info.observedMonoisotopicMass || info.monoisotopicMass;\n  });\n\n  const ms = chromatogram.getSeries('ms').data;\n\n  // check where is the reference values\n  let referenceIndexShift = Number(oddReference);\n  let msIndexShift = Number(!oddReference);\n  const newSize = ms.length >> 1;\n  let referencesCount = new Array(referenceMass.length).fill(0);\n\n  // applying the changes for all the spectra\n  let previousValidDifference = Number.MAX_VALUE;\n  let usingPreviousValidDifference = false;\n  for (let i = 0; i < newSize; i++) {\n    let massIndex = 2 * i + msIndexShift;\n    let referenceIndex = 2 * i + referenceIndexShift;\n\n    // calculate the difference between theory and experimental (the smallest)\n    let difference = Number.MAX_VALUE;\n    let closestIndex = -1;\n    for (let j = 0; j < referenceMass.length; j++) {\n      for (let k = 0; k < ms[referenceIndex][0].length; k++) {\n        if (\n          Math.abs(difference) >\n          Math.abs(referenceMass[j] - ms[referenceIndex][0][k])\n        ) {\n          difference = referenceMass[j] - ms[referenceIndex][0][k];\n          closestIndex = j;\n        }\n      }\n    }\n    if (\n      Math.abs(difference) > maxShift &&\n      Math.abs(previousValidDifference) < maxShift\n    ) {\n      difference = previousValidDifference;\n      usingPreviousValidDifference = true;\n    } else {\n      usingPreviousValidDifference = false;\n    }\n    // apply identified lock mass\n    if (Math.abs(difference) < maxShift) {\n      previousValidDifference = difference;\n      if (!usingPreviousValidDifference && closestIndex !== -1) {\n        referencesCount[closestIndex] += 1;\n      }\n      for (let m = 0; m < ms[massIndex][0].length; m++) {\n        ms[massIndex][0][m] += difference;\n      }\n    }\n  }\n\n  const referenceUsed = {\n    total: newSize,\n    totalFound: referencesCount.reduce((prev, current) => current + prev, 0),\n    mfs: {},\n    percent: 0,\n  };\n  for (let r = 0; r < referenceMass.length; r++) {\n    referenceUsed.mfs[mfs[r]] = referencesCount[r];\n  }\n  referenceUsed.percent =\n    (referenceUsed.totalFound / referenceUsed.total) * 100;\n\n  // remove the time and the mass spectra that contains the reference\n  chromatogram.filter((index) => index % 2 !== referenceIndexShift);\n\n  return referenceUsed;\n}\n","import max from 'ml-array-max';\n\n/**\n * Calculate bpc\n * @param {Chromatogram} chromatogram - GC/MS chromatogram where make the peak picking\n * @returns {Array} - Calculated bpc\n */\nexport function calculateBpc(chromatogram) {\n  const ms = chromatogram.getSeries('ms');\n  const massSpectra = ms.data;\n  const bpc = [];\n  for (const massSpectrum of massSpectra) {\n    if (massSpectrum[1].length > 0) {\n      bpc.push(max(massSpectrum[1]));\n    } else {\n      bpc.push(0);\n    }\n  }\n\n  return bpc;\n}\n","/**\n * Calculate the Extracted Ion Chromatogram\n * @param {object} chromatogram\n * @param {string|number} targetMass\n * @param {object} [options={}]\n * @param {number} [options.slotWidth=1]\n * @returns\n */\n\nexport function calculateEic(chromatogram, targetMass, options = {}) {\n  const { slotWidth = 1 } = options;\n  if (!targetMass) {\n    throw new Error(\n      'targetMass must be defined and a number or string of comma separated numbers',\n    );\n  }\n  let targetMasses;\n  if (!Number.isNaN(Number(targetMass))) {\n    targetMasses = [Number(targetMass)];\n  } else if (typeof targetMass === 'string') {\n    targetMasses = targetMass.split(/[\\t\\n\\r ,;]+/).map(Number);\n  }\n  for (let mass of targetMasses) {\n    if (Number.isNaN(mass)) {\n      throw new Error(\n        'targetMass must be defined and a number or string of comma separated numbers',\n      );\n    }\n  }\n\n  const halfWidth = slotWidth / 2;\n  const ms = chromatogram.getSeries('ms');\n  const massSpectra = ms.data;\n\n  const result = new Array(massSpectra.length).fill(0);\n  for (let mass of targetMasses) {\n    for (let i = 0; i < massSpectra.length; i++) {\n      let massSpectrum = massSpectra[i];\n      for (let j = 0; j < massSpectrum[0].length; j++) {\n        if (Math.abs(massSpectrum[0][j] - mass) <= halfWidth) {\n          result[i] += massSpectrum[1][j];\n        }\n      }\n    }\n  }\n\n  return result;\n}\n","import { ELECTRON_MASS } from 'chemical-elements';\n\nexport function getMsem(em, charge) {\n  if (charge > 0) {\n    return em / charge - ELECTRON_MASS;\n  } else if (charge < 0) {\n    return em / (charge * -1) + ELECTRON_MASS;\n  } else {\n    return 0;\n  }\n}\n","import { getMsem } from './getMsem';\n\n/**\n * Returns an object containing:\n * {ms: {em, charge, ionization}, ionization: {}}\n * We return the ionization in order to know which one has been selected\n */\n\nexport function getMsInfo(entry, options = {}) {\n  const {\n    allowNeutralMolecules,\n    ionization = { mf: '', em: 0, charge: 0 },\n    forceIonization = false,\n    targetMass,\n  } = options;\n\n  let realIonization = ionization;\n  if (!forceIonization && entry.ionization && entry.ionization.mf !== '') {\n    realIonization = entry.ionization;\n  }\n  let ms = {\n    ionization: realIonization.mf,\n    em: 0,\n    charge: entry.charge + realIonization.charge,\n  };\n\n  if (ms.charge !== 0) {\n    ms.em = getMsem(entry.em + realIonization.em, ms.charge);\n  } else if (allowNeutralMolecules) {\n    ms.em = entry.em + realIonization.em;\n  }\n  if (targetMass) {\n    ms.delta = targetMass - ms.em;\n    ms.ppm = ((targetMass - ms.em) / ms.em) * 1e6;\n  }\n  return {\n    ms,\n    ionization: realIonization,\n  };\n}\n","import { MF } from 'mf-parser';\n\nexport function preprocessIonizations(ionizationsString = '') {\n  if (Array.isArray(ionizationsString)) return ionizationsString;\n  let ionizations = ionizationsString.split(/ *[\\t\\n\\r,.;]+ */);\n\n  // it is allowed to have ranges in Ionizations. We need to explode them.\n\n  let results = [];\n\n  for (let ionization of ionizations) {\n    let parts = new MF(ionization).flatten();\n    for (let part of parts) {\n      let info = new MF(part).getInfo();\n      results.push({\n        mf: part,\n        em: info.monoisotopicMass,\n        charge: info.charge,\n        atoms: info.atoms,\n      });\n    }\n  }\n\n  return results;\n}\n","export const GAUSSIAN_EXP_FACTOR = -4 * Math.LN2;\nexport const ROOT_PI_OVER_LN2 = Math.sqrt(Math.PI / Math.LN2);\nexport const ROOT_THREE = Math.sqrt(3);\nexport const ROOT_2LN2 = Math.sqrt(2 * Math.LN2);\nexport const ROOT_2LN2_MINUS_ONE = Math.sqrt(2 * Math.LN2) - 1;\n//# sourceMappingURL=constants.js.map","// https://en.wikipedia.org/wiki/Error_function#Inverse_functions\n// This code yields to a good approximation\n// If needed a better implementation using polynomial can be found on https://en.wikipedia.org/wiki/Error_function#Inverse_functions\nexport default function erfinv(x) {\n    let a = 0.147;\n    if (x === 0)\n        return 0;\n    let ln1MinusXSqrd = Math.log(1 - x * x);\n    let lnEtcBy2Plus2 = ln1MinusXSqrd / 2 + 2 / (Math.PI * a);\n    let firstSqrt = Math.sqrt(lnEtcBy2Plus2 ** 2 - ln1MinusXSqrd / a);\n    let secondSqrt = Math.sqrt(firstSqrt - lnEtcBy2Plus2);\n    return secondSqrt * (x > 0 ? 1 : -1);\n}\n//# sourceMappingURL=erfinv.js.map","import { ROOT_2LN2, GAUSSIAN_EXP_FACTOR, ROOT_PI_OVER_LN2, } from '../../../util/constants';\nimport erfinv from '../../../util/erfinv';\nexport class Gaussian {\n    constructor(options = {}) {\n        const { fwhm = 500, sd } = options;\n        this.fwhm = sd ? gaussianWidthToFWHM(2 * sd) : fwhm;\n    }\n    fwhmToWidth(fwhm = this.fwhm) {\n        return gaussianFwhmToWidth(fwhm);\n    }\n    widthToFWHM(width) {\n        return gaussianWidthToFWHM(width);\n    }\n    fct(x) {\n        return gaussianFct(x, this.fwhm);\n    }\n    getArea(height = calculateGaussianHeight({ fwhm: this.fwhm })) {\n        return getGaussianArea({ fwhm: this.fwhm, height });\n    }\n    getFactor(area) {\n        return getGaussianFactor(area);\n    }\n    getData(options = {}) {\n        return getGaussianData(this, options);\n    }\n    calculateHeight(area = 1) {\n        return calculateGaussianHeight({ fwhm: this.fwhm, area });\n    }\n    getParameters() {\n        return ['fwhm'];\n    }\n}\nexport function calculateGaussianHeight(options) {\n    let { fwhm = 500, area = 1, sd } = options;\n    if (sd)\n        fwhm = gaussianWidthToFWHM(2 * sd);\n    return (2 * area) / ROOT_PI_OVER_LN2 / fwhm;\n}\n/**\n * Calculate the height of the gaussian function of a specific width (fwhm) at a speicifc\n * x position (the gaussian is centered on x=0)\n * @param x\n * @param fwhm\n * @returns y\n */\nexport function gaussianFct(x, fwhm) {\n    return Math.exp(GAUSSIAN_EXP_FACTOR * Math.pow(x / fwhm, 2));\n}\nexport function gaussianWidthToFWHM(width) {\n    return width * ROOT_2LN2;\n}\nexport function gaussianFwhmToWidth(fwhm) {\n    return fwhm / ROOT_2LN2;\n}\nexport function getGaussianArea(options) {\n    let { fwhm = 500, sd, height = 1 } = options;\n    if (sd)\n        fwhm = gaussianWidthToFWHM(2 * sd);\n    return (height * ROOT_PI_OVER_LN2 * fwhm) / 2;\n}\nexport function getGaussianFactor(area = 0.9999) {\n    return Math.sqrt(2) * erfinv(area);\n}\nexport function getGaussianData(shape = {}, options = {}) {\n    let { fwhm = 500, sd } = shape;\n    if (sd)\n        fwhm = gaussianWidthToFWHM(2 * sd);\n    let { length, factor = getGaussianFactor(), height = calculateGaussianHeight({ fwhm }), } = options;\n    if (!length) {\n        length = Math.min(Math.ceil(fwhm * factor), Math.pow(2, 25) - 1);\n        if (length % 2 === 0)\n            length++;\n    }\n    const center = (length - 1) / 2;\n    const data = new Float64Array(length);\n    for (let i = 0; i <= center; i++) {\n        data[i] = gaussianFct(i - center, fwhm) * height;\n        data[length - 1 - i] = data[i];\n    }\n    return data;\n}\n//# sourceMappingURL=Gaussian.js.map","import { ROOT_THREE } from '../../../util/constants';\nexport class Lorentzian {\n    constructor(options = {}) {\n        const { fwhm = 500 } = options;\n        this.fwhm = fwhm;\n    }\n    fwhmToWidth(fwhm = this.fwhm) {\n        return lorentzianFwhmToWidth(fwhm);\n    }\n    widthToFWHM(width) {\n        return lorentzianWidthToFWHM(width);\n    }\n    fct(x) {\n        return lorentzianFct(x, this.fwhm);\n    }\n    getArea(height = 1) {\n        return getLorentzianArea({ fwhm: this.fwhm, height });\n    }\n    getFactor(area) {\n        return getLorentzianFactor(area);\n    }\n    getData(options = {}) {\n        return getLorentzianData(this, options);\n    }\n    calculateHeight(area = 1) {\n        return calculateLorentzianHeight({ fwhm: this.fwhm, area });\n    }\n    getParameters() {\n        return ['fwhm'];\n    }\n}\nexport const calculateLorentzianHeight = ({ fwhm = 1, area = 1 }) => {\n    return (2 * area) / Math.PI / fwhm;\n};\nexport const getLorentzianArea = (options) => {\n    const { fwhm = 500, height = 1 } = options;\n    return (height * Math.PI * fwhm) / 2;\n};\nexport const lorentzianFct = (x, fwhm) => {\n    return fwhm ** 2 / (4 * x ** 2 + fwhm ** 2);\n};\nexport const lorentzianWidthToFWHM = (width) => {\n    return width * ROOT_THREE;\n};\nexport const lorentzianFwhmToWidth = (fwhm) => {\n    return fwhm / ROOT_THREE;\n};\nexport const getLorentzianFactor = (area = 0.9999) => {\n    if (area >= 1) {\n        throw new Error('area should be (0 - 1)');\n    }\n    const halfResidual = (1 - area) * 0.5;\n    const quantileFunction = (p) => Math.tan(Math.PI * (p - 0.5));\n    return ((quantileFunction(1 - halfResidual) - quantileFunction(halfResidual)) / 2);\n};\nexport const getLorentzianData = (shape = {}, options = {}) => {\n    let { fwhm = 500 } = shape;\n    let { length, factor = getLorentzianFactor(), height = calculateLorentzianHeight({ fwhm, area: 1 }), } = options;\n    if (!length) {\n        length = Math.min(Math.ceil(fwhm * factor), Math.pow(2, 25) - 1);\n        if (length % 2 === 0)\n            length++;\n    }\n    const center = (length - 1) / 2;\n    const data = new Float64Array(length);\n    for (let i = 0; i <= center; i++) {\n        data[i] = lorentzianFct(i - center, fwhm) * height;\n        data[length - 1 - i] = data[i];\n    }\n    return data;\n};\n//# sourceMappingURL=Lorentzian.js.map","import { GAUSSIAN_EXP_FACTOR, ROOT_2LN2_MINUS_ONE, ROOT_PI_OVER_LN2, } from '../../../util/constants';\nimport { gaussianFct, getGaussianFactor } from '../gaussian/Gaussian';\nimport { lorentzianFct, getLorentzianFactor } from '../lorentzian/Lorentzian';\nexport class PseudoVoigt {\n    constructor(options = {}) {\n        const { fwhm = 500, mu = 0.5 } = options;\n        this.mu = mu;\n        this.fwhm = fwhm;\n    }\n    fwhmToWidth(fwhm = this.fwhm, mu = this.mu) {\n        return pseudoVoigtFwhmToWidth(fwhm, mu);\n    }\n    widthToFWHM(width, mu = this.mu) {\n        return pseudoVoigtWidthToFWHM(width, mu);\n    }\n    fct(x) {\n        return pseudoVoigtFct(x, this.fwhm, this.mu);\n    }\n    getArea(height = 1) {\n        return getPseudoVoigtArea({ fwhm: this.fwhm, height, mu: this.mu });\n    }\n    getFactor(area) {\n        return getPseudoVoigtFactor(area);\n    }\n    getData(options = {}) {\n        const { length, factor, height = calculatePseudoVoigtHeight({\n            fwhm: this.fwhm,\n            mu: this.mu,\n            area: 1,\n        }), } = options;\n        return getPseudoVoigtData(this, { factor, length, height });\n    }\n    calculateHeight(area = 1) {\n        return calculatePseudoVoigtHeight({ fwhm: this.fwhm, mu: this.mu, area });\n    }\n    getParameters() {\n        return ['fwhm', 'mu'];\n    }\n}\nexport const calculatePseudoVoigtHeight = (options = {}) => {\n    let { fwhm = 1, mu = 0.5, area = 1 } = options;\n    return (2 * area) / (fwhm * (mu * ROOT_PI_OVER_LN2 + (1 - mu) * Math.PI));\n};\nexport const pseudoVoigtFct = (x, fwhm, mu) => {\n    return (1 - mu) * lorentzianFct(x, fwhm) + mu * gaussianFct(x, fwhm);\n};\nexport const pseudoVoigtWidthToFWHM = (width, mu = 0.5) => {\n    return width * (mu * ROOT_2LN2_MINUS_ONE + 1);\n};\nexport const pseudoVoigtFwhmToWidth = (fwhm, mu = 0.5) => {\n    return fwhm / (mu * ROOT_2LN2_MINUS_ONE + 1);\n};\nexport const getPseudoVoigtArea = (options) => {\n    const { fwhm = 500, height = 1, mu = 0.5 } = options;\n    return (fwhm * height * (mu * ROOT_PI_OVER_LN2 + (1 - mu) * Math.PI)) / 2;\n};\nexport const getPseudoVoigtFactor = (area = 0.9999, mu = 0.5) => {\n    return mu < 1 ? getLorentzianFactor(area) : getGaussianFactor(area);\n};\nexport const getPseudoVoigtData = (shape = {}, options = {}) => {\n    let { fwhm = 500, mu = 0.5 } = shape;\n    let { length, factor = getPseudoVoigtFactor(0.999, mu), height = calculatePseudoVoigtHeight({ fwhm, mu, area: 1 }), } = options;\n    if (!height) {\n        height =\n            1 /\n                ((mu / Math.sqrt(-GAUSSIAN_EXP_FACTOR / Math.PI)) * fwhm +\n                    ((1 - mu) * fwhm * Math.PI) / 2);\n    }\n    if (!length) {\n        length = Math.min(Math.ceil(fwhm * factor), Math.pow(2, 25) - 1);\n        if (length % 2 === 0)\n            length++;\n    }\n    const center = (length - 1) / 2;\n    const data = new Float64Array(length);\n    for (let i = 0; i <= center; i++) {\n        data[i] = pseudoVoigtFct(i - center, fwhm, mu) * height;\n        data[length - 1 - i] = data[i];\n    }\n    return data;\n};\n//# sourceMappingURL=PseudoVoigt.js.map","import { ROOT_THREE } from '../../../util/constants';\n/**\n * This shape is a linear combination of rational function (n|n+2), for n = 0 (lorentzian function) and n = 2\n * the parameter that combines those two functions is `gamma` and it is called the kurtosis parameter, it is an\n * implementation of generalized lorentzian shape published by Stanislav Sykora in the SMASH 2010. DOI:10.3247/SL3nmr10.006\n * @link http://www.ebyte.it/stan/Talk_ML_UserMeeting_SMASH_2010_GeneralizedLorentzian.html\n */\nexport class GeneralizedLorentzian {\n    constructor(options = {}) {\n        const { fwhm = 500, gamma = 0.5 } = options;\n        this.fwhm = fwhm;\n        this.gamma = gamma;\n    }\n    fwhmToWidth(fwhm = this.fwhm) {\n        return generalizedLorentzianFwhmToWidth(fwhm);\n    }\n    widthToFWHM(width) {\n        return generalizedLorentzianWidthToFWHM(width);\n    }\n    fct(x) {\n        return generalizedLorentzianFct(x, this.fwhm, this.gamma);\n    }\n    getArea(height = 1) {\n        return getGeneralizedLorentzianArea({\n            fwhm: this.fwhm,\n            height,\n            gamma: this.gamma,\n        });\n    }\n    getFactor(area) {\n        return getGeneralizedLorentzianFactor(area);\n    }\n    getData(options = {}) {\n        return getGeneralizedLorentzianData(this, options);\n    }\n    calculateHeight(area = 1) {\n        const { gamma, fwhm } = this;\n        return calculateGeneralizedLorentzianHeight({ fwhm, area, gamma });\n    }\n    getParameters() {\n        return ['fwhm', 'gamma'];\n    }\n}\nexport const calculateGeneralizedLorentzianHeight = ({ fwhm = 1, gamma = 1, area = 1, }) => {\n    return (area / fwhm / (3.14159 - 0.420894 * gamma)) * 2;\n};\n/**\n * expression of integral generated by Mathematica of the function\n */\nexport const getGeneralizedLorentzianArea = (options) => {\n    const { fwhm = 500, height = 1, gamma = 1 } = options;\n    return (height * fwhm * (3.14159 - 0.420894 * gamma)) / 2;\n};\nexport const generalizedLorentzianFct = (x, fwhm, gamma) => {\n    const u = ((2 * x) / fwhm) ** 2;\n    return (1 - gamma) / (1 + u) + (gamma * (1 + u / 2)) / (1 + u + u ** 2);\n};\nexport const generalizedLorentzianWidthToFWHM = (width) => {\n    return width * ROOT_THREE;\n};\nexport const generalizedLorentzianFwhmToWidth = (fwhm) => {\n    return fwhm / ROOT_THREE;\n};\nexport const getGeneralizedLorentzianFactor = (area = 0.9999) => {\n    if (area >= 1) {\n        throw new Error('area should be (0 - 1)');\n    }\n    const halfResidual = (1 - area) * 0.5;\n    const quantileFunction = (p) => Math.tan(Math.PI * (p - 0.5));\n    return ((quantileFunction(1 - halfResidual) - quantileFunction(halfResidual)) / 2);\n};\nexport const getGeneralizedLorentzianData = (shape = {}, options = {}) => {\n    let { fwhm = 500, gamma = 1 } = shape;\n    let { length, factor = getGeneralizedLorentzianFactor(), height = calculateGeneralizedLorentzianHeight({ fwhm, area: 1, gamma }), } = options;\n    if (!length) {\n        length = Math.min(Math.ceil(fwhm * factor), Math.pow(2, 25) - 1);\n        if (length % 2 === 0)\n            length++;\n    }\n    const center = (length - 1) / 2;\n    const data = new Float64Array(length);\n    for (let i = 0; i <= center; i++) {\n        data[i] = generalizedLorentzianFct(i - center, fwhm, gamma) * height;\n        data[length - 1 - i] = data[i];\n    }\n    return data;\n};\n//# sourceMappingURL=GeneralizedLorentzian.js.map","import { Gaussian } from './gaussian/Gaussian';\nimport { GeneralizedLorentzian } from './generalizedLorentzian/GeneralizedLorentzian';\nimport { Lorentzian } from './lorentzian/Lorentzian';\nimport { PseudoVoigt } from './pseudoVoigt/PseudoVoigt';\n/**\n * Generate a instance of a specific kind of shape.\n */\nexport function getShape1D(shape) {\n    const { kind } = shape;\n    switch (kind) {\n        case 'gaussian':\n            return new Gaussian(shape);\n        case 'lorentzian':\n            return new Lorentzian(shape);\n        case 'pseudoVoigt':\n            return new PseudoVoigt(shape);\n        case 'generalizedLorentzian':\n            return new GeneralizedLorentzian(shape);\n        default: {\n            throw Error(`Unknown distribution ${kind}`);\n        }\n    }\n}\n//# sourceMappingURL=getShape1D.js.map","export default function addBaseline(data, baselineFct) {\n    if (!baselineFct)\n        return data;\n    const xs = data.x;\n    const ys = data.y;\n    for (let i = 0; i < xs.length; i++) {\n        ys[i] += baselineFct(xs[i]);\n    }\n    return data;\n}\n//# sourceMappingURL=addBaseline.js.map","import { xMaxValue, xAdd, createRandomArray } from 'ml-spectra-processing';\nexport default function addNoise(data, options = {}) {\n    const { seed = 0, distribution = 'normal', percent = 1 } = options;\n    const range = (xMaxValue(data.y) * percent) / 100;\n    const noise = createRandomArray({\n        distribution,\n        seed,\n        mean: 0,\n        standardDeviation: range,\n        range,\n        length: data.x.length,\n    });\n    data.y = xAdd(data.y, noise);\n    return data;\n}\n//# sourceMappingURL=addNoise.js.map","import { getShape1D } from 'ml-peak-shape-generator';\nimport addBaseline from './util/addBaseline';\nimport addNoise from './util/addNoise';\nexport class SpectrumGenerator {\n    constructor(options = {}) {\n        const { from = 0, to = 1000, nbPoints = 10001, peakWidthFct, shape = { kind: 'gaussian', fwhm: 5 }, } = options;\n        this.from = from;\n        this.to = to;\n        this.nbPoints = nbPoints;\n        this.interval = (this.to - this.from) / (this.nbPoints - 1);\n        this.peakWidthFct = peakWidthFct;\n        this.maxPeakHeight = Number.MIN_SAFE_INTEGER;\n        this.data = {\n            x: new Float64Array(this.nbPoints),\n            y: new Float64Array(this.nbPoints),\n        };\n        const shapeGenerator = getShape1D(shape);\n        this.shape = shapeGenerator;\n        assertNumber(this.from, 'from');\n        assertNumber(this.to, 'to');\n        assertInteger(this.nbPoints, 'nbPoints');\n        if (this.to <= this.from) {\n            throw new RangeError('to option must be larger than from');\n        }\n        if (this.peakWidthFct && typeof this.peakWidthFct !== 'function') {\n            throw new TypeError('peakWidthFct option must be a function');\n        }\n        this.reset();\n    }\n    /**\n     * Add a series of peaks to the spectrum.\n     * @param peaks - Peaks to add.\n     * @param options\n     */\n    addPeaks(peaks, options) {\n        if (!Array.isArray(peaks) &&\n            (typeof peaks !== 'object' ||\n                peaks.x === undefined ||\n                peaks.y === undefined ||\n                !Array.isArray(peaks.x) ||\n                !Array.isArray(peaks.y) ||\n                peaks.x.length !== peaks.y.length)) {\n            throw new TypeError('peaks must be an array or an object containing x[] and y[]');\n        }\n        if (Array.isArray(peaks)) {\n            for (const peak of peaks) {\n                this.addPeak(peak, options);\n            }\n        }\n        else {\n            for (let i = 0; i < peaks.x.length; i++) {\n                this.addPeak([peaks.x[i], peaks.y[i]], options);\n            }\n        }\n    }\n    /**\n     * Add a single peak to the spectrum.\n     * A peak may be either defined as [x,y,fwhm,...] or as {x, y, shape}\n     * @param peak\n     * @param options\n     */\n    addPeak(peak, options = {}) {\n        if (Array.isArray(peak) && peak.length < 2) {\n            throw new Error('peak must be an array with two (or three) values or an object with {x,y,width?}');\n        }\n        if (!Array.isArray(peak) &&\n            (peak.x === undefined || peak.y === undefined)) {\n            throw new Error('peak must be an array with two (or three) values or an object with {x,y,width?}');\n        }\n        let xPosition;\n        let intensity;\n        let peakFWHM;\n        let peakWidth;\n        let peakShapeOptions;\n        if (Array.isArray(peak)) {\n            [xPosition, intensity, peakFWHM, peakShapeOptions] = peak;\n        }\n        else {\n            xPosition = peak.x;\n            intensity = peak.y;\n            peakWidth = peak.width;\n            peakShapeOptions = peak.shape;\n        }\n        if (intensity > this.maxPeakHeight)\n            this.maxPeakHeight = intensity;\n        let { shape: shapeOptions } = options;\n        if (peakShapeOptions) {\n            shapeOptions = shapeOptions\n                ? { ...shapeOptions, ...peakShapeOptions }\n                : peakShapeOptions;\n        }\n        const shape = shapeOptions\n            ? getShape1D(shapeOptions)\n            : Object.assign(Object.create(Object.getPrototypeOf(this.shape)), this.shape);\n        const { width } = options;\n        let { widthLeft, widthRight } = options;\n        /*\n         if we don't force the fwhm we just take the one from the shape\n         however we have many way to force it:\n         - use [x,y,fwhm]\n         - define `width` that will be converted to fwhm\n         - define `widthLeft` and `widthRight` to define asymmetric peaks\n         - have a callback `peakWidthFct`\n         This should evolve in the future because we will not always have `fwhm`\n         */\n        const fwhm = peakFWHM !== undefined\n            ? peakFWHM\n            : peakWidth\n                ? shape.widthToFWHM(peakWidth)\n                : this.peakWidthFct\n                    ? this.peakWidthFct(xPosition)\n                    : width !== undefined\n                        ? width\n                        : shape.fwhm;\n        if (!widthLeft)\n            widthLeft = fwhm;\n        if (!widthRight)\n            widthRight = fwhm;\n        if (!widthLeft || !widthRight) {\n            throw new Error('Width left or right is undefined or zero');\n        }\n        const factor = options.factor === undefined ? shape.getFactor() : options.factor;\n        const firstValue = xPosition - (widthLeft / 2) * factor;\n        const lastValue = xPosition + (widthRight / 2) * factor;\n        const firstPoint = Math.max(0, Math.floor((firstValue - this.from) / this.interval));\n        const lastPoint = Math.min(this.nbPoints - 1, Math.ceil((lastValue - this.from) / this.interval));\n        const middlePoint = Math.round((xPosition - this.from) / this.interval);\n        // PEAK SHAPE MAY BE ASYMMETRC (widthLeft and widthRight) !\n        // we calculate the left part of the shape\n        shape.fwhm = widthLeft;\n        for (let index = firstPoint; index < Math.max(middlePoint, 0); index++) {\n            this.data.y[index] +=\n                intensity * shape.fct(this.data.x[index] - xPosition);\n        }\n        // we calculate the right part of the gaussian\n        shape.fwhm = widthRight;\n        for (let index = Math.min(middlePoint, lastPoint); index <= lastPoint; index++) {\n            this.data.y[index] +=\n                intensity * shape.fct(this.data.x[index] - xPosition);\n        }\n    }\n    /**\n     * Add a baseline to the spectrum.\n     * @param baselineFct - Mathematical function producing the baseline you want.\n     */\n    addBaseline(baselineFct) {\n        addBaseline(this.data, baselineFct);\n        return this;\n    }\n    /**\n     * Add noise to the spectrum.\n     * @param percent - Noise's amplitude in percents of the spectrum max value. Default: 1.\n     * @param options\n     */\n    addNoise(options) {\n        addNoise(this.data, options);\n        return this;\n    }\n    /**\n     * Get the generated spectrum.\n     * @param options\n     */\n    getSpectrum(options = {}) {\n        if (typeof options === 'boolean') {\n            options = { copy: options };\n        }\n        const { copy = true, threshold = 0 } = options;\n        if (threshold) {\n            const minPeakHeight = this.maxPeakHeight * threshold;\n            const x = [];\n            const y = [];\n            for (let i = 0; i < this.data.x.length; i++) {\n                if (this.data.y[i] >= minPeakHeight) {\n                    x.push(this.data.x[i]);\n                    y.push(this.data.y[i]);\n                }\n            }\n            return { x: Float64Array.from(x), y: Float64Array.from(y) };\n        }\n        if (copy) {\n            return {\n                x: this.data.x.slice(),\n                y: this.data.y.slice(),\n            };\n        }\n        else {\n            return this.data;\n        }\n    }\n    /**\n     * Resets the generator with an empty spectrum.\n     */\n    reset() {\n        if (this.nbPoints === 1) {\n            this.data.x[0] = (this.from + this.to) / 2;\n        }\n        else {\n            for (let i = 0; i < this.nbPoints; i++) {\n                this.data.x[i] = this.from + i * this.interval;\n            }\n        }\n        return this;\n    }\n}\nfunction assertInteger(value, name) {\n    if (!Number.isInteger(value)) {\n        throw new TypeError(`${name} option must be an integer`);\n    }\n}\nfunction assertNumber(value, name) {\n    if (!Number.isFinite(value)) {\n        throw new TypeError(`${name} option must be a number`);\n    }\n}\n/**\n * Generates a spectrum and returns it.\n * @param peaks - List of peaks to put in the spectrum.\n * @param options\n */\nexport function generateSpectrum(peaks, options = {}) {\n    const { generator: generatorOptions, noise, baseline, threshold, peakOptions, } = options;\n    const generator = new SpectrumGenerator(generatorOptions);\n    generator.addPeaks(peaks, peakOptions);\n    if (baseline)\n        generator.addBaseline(baseline);\n    if (noise) {\n        generator.addNoise(noise);\n    }\n    return generator.getSpectrum({\n        threshold,\n    });\n}\n//# sourceMappingURL=SpectrumGenerator.js.map","export function closestPointX(array, target) {\n  let low = 0;\n  let high = array.length - 1;\n  let middle = 0;\n  while (high - low > 1) {\n    middle = low + ((high - low) >> 1);\n    if (array[middle].x < target) {\n      low = middle;\n    } else if (array[middle].x > target) {\n      high = middle;\n    } else {\n      return array[middle];\n    }\n  }\n\n  if (low < array.length - 1) {\n    if (Math.abs(target - array[low].x) < Math.abs(array[low + 1].x - target)) {\n      return array[low];\n    } else {\n      return array[low + 1];\n    }\n  } else {\n    return array[low];\n  }\n}\n","/**\n * Join x values if there are similar\n */\n\nexport function joinX(self, threshold = Number.EPSILON) {\n  // when we join we will use the center of mass\n  if (self.array.length === 0) return [];\n  self.sortX();\n  let current = self.array[0];\n  let result = [current];\n  for (let i = 1; i < self.array.length; i++) {\n    const item = self.array[i];\n    if (item.x - current.x <= threshold) {\n      // weighted sum\n      current.x =\n        (item.y / (current.y + item.y)) * (item.x - current.x) + current.x;\n      current.y += item.y;\n    } else {\n      current = { ...item };\n      result.push(current);\n    }\n  }\n  self.array = result;\n  self.ySorted = false;\n  return self;\n}\n","export function multiply(a, b, options = {}) {\n  const { minY = 1e-8, maxLines = 5000, deltaX = 1e-2 } = options;\n  const result = new a.constructor();\n\n  a.sortY();\n  b.sortY();\n\n  for (let entryA of a.array) {\n    for (let entryB of b.array) {\n      let y = entryA.y * entryB.y;\n      if (y > minY) {\n        const composition = calculateComposition(entryA, entryB);\n        if (composition) {\n          result.push({ x: entryA.x + entryB.x, y, composition });\n        } else {\n          result.push({ x: entryA.x + entryB.x, y });\n        }\n      }\n      if (result.length > maxLines * 2) {\n        result.joinX(deltaX);\n        result.topY(maxLines);\n      }\n    }\n  }\n  result.joinX(deltaX);\n  result.topY(maxLines);\n  a.move(result);\n  return a;\n}\n\nfunction calculateComposition(entryA, entryB) {\n  if (!entryA.composition || !entryB.composition) return;\n  let toReturn = {};\n  const keys = [\n    ...new Set(\n      Object.keys(entryA.composition).concat(Object.keys(entryB.composition)),\n    ),\n  ];\n  for (let key of keys) {\n    toReturn[key] =\n      (entryA.composition[key] || 0) + (entryB.composition[key] || 0);\n  }\n  return toReturn;\n}\n","// https://en.wikipedia.org/wiki/Exponentiation_by_squaring\n\nexport function power(array, p, options = {}) {\n  if (p <= 0) throw new Error('power must be larger than 0');\n  if (p === 1) return array;\n  if (p === 2) {\n    return array.square();\n  }\n\n  p--;\n  let base = array.copy(); // linear time\n  while (p !== 0) {\n    if ((p & 1) !== 0) {\n      array.multiply(base, options); // executed <= log2(p) times\n    }\n    p >>= 1;\n    if (p !== 0) base.square(options); // executed <= log2(p) times\n  }\n\n  return array;\n}\n","import { closestPointX } from './utils/closestPointX.js';\nimport { joinX } from './utils/joinX.js';\nimport { multiply } from './utils/multiply.js';\nimport { power } from './utils/power.js';\n\n/**\n * Internal class to deal with isotopic distribution calculations\n */\nexport class Distribution {\n  constructor(array = []) {\n    this.array = array;\n    this.cache = getEmptyCache();\n  }\n\n  emptyCache() {\n    if (this.cache.isEmpty) return;\n    this.cache = getEmptyCache();\n  }\n\n  get length() {\n    return this.array.length;\n  }\n\n  get xs() {\n    return this.array.map((p) => p.x);\n  }\n\n  get ys() {\n    return this.array.map((p) => p.y);\n  }\n\n  get sumY() {\n    if (!Number.isNaN(this.cache.sumY)) return this.cache.sumY;\n    let sumY = 0;\n    for (let item of this.array) {\n      sumY += item.y;\n    }\n    this.cache.sumY = sumY;\n    this.cache.isEmpty = false;\n    return sumY;\n  }\n\n  get minX() {\n    if (!Number.isNaN(this.cache.minX)) return this.cache.minX;\n    let minX = Number.POSITIVE_INFINITY;\n    for (let item of this.array) {\n      if (item.x < minX) {\n        minX = item.x;\n      }\n    }\n    this.cache.minX = minX;\n    this.cache.isEmpty = false;\n    return minX;\n  }\n\n  get maxX() {\n    if (!Number.isNaN(this.cache.maxX)) return this.cache.maxX;\n    let maxX = Number.NEGATIVE_INFINITY;\n    for (let item of this.array) {\n      if (item.x > maxX) {\n        maxX = item.x;\n      }\n    }\n    this.cache.maxX = maxX;\n    this.cache.isEmpty = false;\n    return maxX;\n  }\n\n  get minY() {\n    if (!Number.isNaN(this.cache.minY)) return this.cache.minY;\n    let minY = Number.POSITIVE_INFINITY;\n    for (let item of this.array) {\n      if (item.y < minY) {\n        minY = item.y;\n      }\n    }\n    this.cache.minY = minY;\n    this.cache.isEmpty = false;\n    return minY;\n  }\n\n  get maxY() {\n    if (!Number.isNaN(this.cache.maxY)) return this.cache.maxY;\n    let maxY = Number.NEGATIVE_INFINITY;\n    for (let item of this.array) {\n      if (item.y > maxY) {\n        maxY = item.y;\n      }\n    }\n    this.cache.maxY = maxY;\n    this.cache.isEmpty = false;\n    return maxY;\n  }\n\n  multiplyY(value) {\n    for (const item of this.array) {\n      item.y *= value;\n    }\n  }\n\n  setArray(array) {\n    this.array = array;\n    this.emptyCache();\n  }\n\n  move(other) {\n    this.array = other.array;\n    this.emptyCache();\n  }\n\n  push(...points) {\n    this.array.push(...points);\n    this.emptyCache();\n  }\n\n  /**\n   * Sort by ASCENDING x values\n   * @returns {Distribution}\n   */\n  sortX() {\n    this.cache.ySorted = false;\n    if (this.cache.xSorted) return this;\n    this.array.sort((a, b) => a.x - b.x);\n    this.cache.xSorted = true;\n    this.cache.isEmpty = false;\n    return this;\n  }\n\n  /**\n   * Sort by DESCENDING y values\n   * @returns {Distribution}\n   */\n  sortY() {\n    this.cache.xSorted = false;\n    if (this.cache.ySorted) return this;\n    this.array.sort((a, b) => b.y - a.y);\n    this.cache.ySorted = true;\n    this.cache.isEmpty = false;\n    return this;\n  }\n\n  normalize() {\n    const sum = this.sumY;\n    for (let item of this.array) {\n      item.y /= sum;\n    }\n    return this;\n  }\n\n  /**\n   * Only keep a defined number of peaks\n   * @param {number} limit\n   * @returns\n   */\n  topY(limit) {\n    if (!limit) return this;\n    if (this.array.length <= limit) return this;\n    this.sortY();\n    this.array.splice(limit);\n    return this;\n  }\n\n  /**\n   * remove all the peaks under a defined relative threshold\n   * @param {number} [relativeValue=0] Should be between 0 and 1. 0 means no peak will be removed, 1 means all peaks will be removed\n   */\n  threshold(relativeValue = 0) {\n    if (!relativeValue) return this;\n    const maxY = this.maxY;\n    const threshold = maxY * relativeValue;\n    this.array = this.array.filter((point) => point.y >= threshold);\n  }\n\n  square(options = {}) {\n    return this.multiply(this, options);\n  }\n\n  multiply(b, options) {\n    return multiply(this, b, options);\n  }\n\n  power(p, options) {\n    return power(this, p, options);\n  }\n\n  copy() {\n    let distCopy = new Distribution();\n    distCopy.cache = { ...this.cache };\n    distCopy.array = structuredClone(this.array);\n    return distCopy;\n  }\n\n  maxToOne() {\n    if (this.array.length === 0) return this;\n    let currentMax = this.maxY;\n    for (let item of this.array) {\n      item.y /= currentMax;\n    }\n    return this;\n  }\n\n  joinX(threshold) {\n    return joinX(this, threshold);\n  }\n\n  append(distribution) {\n    for (let item of distribution.array) {\n      this.array.push(item);\n    }\n    this.emptyCache();\n  }\n\n  closestPointX(target) {\n    this.sortX();\n    return closestPointX(this.array, target);\n  }\n}\n\nfunction getEmptyCache() {\n  return {\n    isEmpty: true,\n    xSorted: false,\n    ySorted: false,\n    minX: Number.NaN,\n    maxX: Number.NaN,\n    minY: Number.NaN,\n    maxY: Number.NaN,\n    sumY: Number.NaN,\n  };\n}\n","import { stableIsotopesObject } from 'chemical-elements';\nimport { subscript, superscript } from 'mf-parser';\n\n/**\n * Calcultes informations about the isotopic composition explaining a specific mass\n * @param {Record<string, number>} composition\n * @returns\n */\nexport function getDerivedCompositionInfo(composition) {\n  const shortComposition = {};\n  let label = '';\n  let shortLabel = '';\n  for (let key in composition) {\n    let isotopeLabel = '';\n    for (let i = 0; i < key.length; i++) {\n      if (superscript[key[i]]) {\n        isotopeLabel += superscript[key[i]];\n      } else {\n        isotopeLabel += key[i];\n      }\n    }\n    if (composition[key] > 1) {\n      const number = String(composition[key]);\n      for (let i = 0; i < number.length; i++) {\n        isotopeLabel += subscript[number[i]];\n      }\n    }\n    label += isotopeLabel;\n    if (stableIsotopesObject[key].mostAbundant) continue;\n    shortLabel += isotopeLabel;\n    shortComposition[key] = composition[key];\n  }\n\n  return { label, shortComposition, shortLabel };\n}\n","import { ELECTRON_MASS } from 'chemical-elements';\nimport { MF } from 'mf-parser';\nimport { preprocessIonizations, getMsInfo } from 'mf-utilities';\nimport { xNormed } from 'ml-spectra-processing';\nimport { SpectrumGenerator } from 'spectrum-generator';\n\nimport { Distribution } from './Distribution';\nimport { getDerivedCompositionInfo } from './utils/getDerivedCompositionInfo';\n\nconst MINIMAL_FWHM = 1e-8;\n\n/** @typedef {import('mf-parser').IsotopesInfo} IsotopesInfo */\n/** @typedef {import('mf-parser').PartInfo} PartInfo */\n\n/** @typedef {import('./IsotopicDistribution.types').XY} XY */\n/** @typedef {import('./IsotopicDistribution.types').IsotopicDistributionPart} IsotopicDistributionPart */\n/** @typedef {import('./IsotopicDistribution.types').IsotopicDistributionOptions} IsotopicDistributionOptions */\n\n/**\n * A class that allows to manage isotopic distribution\n */\nexport class IsotopicDistribution {\n  /**\n   * Class that manages isotopic distribution\n   * @param {string|Array<any>} value - Molecular formula or an array of parts.\n   * @param {IsotopicDistributionOptions} [options]\n   */\n  constructor(value, options = {}) {\n    this.threshold = options.threshold;\n    this.limit = options.limit;\n    if (Array.isArray(value)) {\n      this.parts = structuredClone(value);\n      for (let part of this.parts) {\n        part.confidence = 0;\n        part.isotopesInfo = new MF(\n          `${part.mf}(${part.ionization.mf})`,\n        ).getIsotopesInfo();\n      }\n    } else {\n      let mf = new MF(value, { ensureCase: options.ensureCase });\n      let mfInfo = mf.getInfo();\n      const ionizations = preprocessIonizations(options.ionizations);\n      /** @type {PartInfo} */\n      const parts = 'parts' in mfInfo ? mfInfo.parts : [mfInfo];\n      this.parts = [];\n      for (let partOriginal of parts) {\n        // we calculate information for each part\n        for (const ionization of ionizations) {\n          let part = structuredClone(partOriginal);\n          part.em = part.monoisotopicMass; // TODO: To remove !!! we change the name !?\n          part.isotopesInfo = new MF(\n            `${part.mf}(${ionization.mf})`,\n          ).getIsotopesInfo();\n          part.confidence = 0;\n          let msInfo = getMsInfo(part, {\n            ionization,\n          });\n          part.ionization = msInfo.ionization;\n          part.ms = msInfo.ms;\n          this.parts.push(part);\n        }\n      }\n    }\n\n    this.cachedDistribution = undefined;\n    this.fwhm = options.fwhm === undefined ? 0.01 : options.fwhm;\n    // if fwhm is under 1e-8 there are some artifacts in the spectra\n    if (this.fwhm < MINIMAL_FWHM) this.fwhm = MINIMAL_FWHM;\n    this.minY = options.minY === undefined ? MINIMAL_FWHM : options.minY;\n    this.maxLines = options.maxLines || 5000;\n    this.allowNeutral =\n      options.allowNeutral === undefined ? true : options.allowNeutral;\n  }\n\n  /**\n   * @returns {Array<IsotopicDistributionPart>}\n   */\n  getParts() {\n    return this.parts;\n  }\n\n  /**\n   * @return {Distribution} returns the total distribution (for all parts)\n   */\n  getDistribution() {\n    if (this.cachedDistribution) return this.cachedDistribution;\n    let options = {\n      maxLines: this.maxLines,\n      minY: this.minY,\n      deltaX: this.fwhm,\n    };\n    let finalDistribution = new Distribution();\n    this.confidence = 0;\n    // TODO need to cache each part without ionization\n    // in case of many ionization we don't need to recalculate everything !\n    for (let part of this.parts) {\n      let totalDistribution = new Distribution([\n        {\n          x: 0,\n          y: 1,\n          composition: this.fwhm === MINIMAL_FWHM ? {} : undefined, // should we calculate composition in isotopes of each peak\n        },\n      ]);\n      let charge = part.ms.charge;\n      let absoluteCharge = Math.abs(charge);\n      if (charge || this.allowNeutral) {\n        for (let isotope of part.isotopesInfo.isotopes) {\n          if (isotope.number < 0) return { array: [] };\n          if (isotope.number > 0) {\n            const newDistribution = structuredClone(isotope.distribution);\n            if (this.fwhm === MINIMAL_FWHM) {\n              // add composition\n              for (const entry of newDistribution) {\n                entry.composition = { [Math.round(entry.x) + isotope.atom]: 1 };\n              }\n            }\n            let distribution = new Distribution(newDistribution);\n            distribution.power(isotope.number, options);\n            totalDistribution.multiply(distribution, options);\n          }\n        }\n        this.confidence = 0;\n        for (const item of totalDistribution.array) {\n          this.confidence += item.y;\n        }\n\n        // we finally deal with the charge\n\n        if (charge) {\n          for (const e of totalDistribution.array) {\n            e.x = (e.x - ELECTRON_MASS * charge) / absoluteCharge;\n          }\n        }\n\n        if (totalDistribution.array && totalDistribution.array.length > 0) {\n          totalDistribution.sortX();\n          part.fromX = totalDistribution.array[0].x;\n          part.toX = totalDistribution.array.at(-1).x;\n        }\n\n        if (part?.ms.similarity?.factor) {\n          totalDistribution.multiplyY(part.ms.similarity.factor);\n        } else if (\n          part.ms?.target?.intensity &&\n          part.ms?.target?.intensity !== 1\n        ) {\n          // intensity is the value of the monoisotopic mass !\n          // need to find the intensity of the peak corresponding\n          // to the monoisotopic mass\n          if (part.ms.target.mass) {\n            let target = totalDistribution.closestPointX(part.ms.target.mass);\n            totalDistribution.multiplyY(part.ms.target.intensity / target.y);\n          } else {\n            totalDistribution.multiplyY(part.ms.target.intensity);\n          }\n        } else if (part?.intensity && part?.intensity !== 1) {\n          totalDistribution.multiplyY(part.intensity);\n        }\n\n        part.isotopicDistribution = totalDistribution.array;\n\n        const absoluteChargeOrOne = absoluteCharge || 1;\n\n        for (let entry of totalDistribution.array) {\n          if (!entry.composition) continue;\n          const deltaNeutrons =\n            Math.round(entry.x * absoluteChargeOrOne - part.monoisotopicMass) +\n            0; // +0 to avoid -0\n          Object.assign(entry, {\n            ...getDerivedCompositionInfo(entry.composition),\n            deltaNeutrons,\n          });\n        }\n\n        if (finalDistribution.array.length === 0) {\n          finalDistribution = totalDistribution;\n        } else {\n          finalDistribution.append(totalDistribution);\n        }\n      }\n    }\n    if (finalDistribution) finalDistribution.joinX(this.fwhm);\n\n    // if there is a threshold we will deal with it\n    // and we will correct the confidence\n    if (this.threshold || this.limit) {\n      const sumBefore = finalDistribution.sumY;\n      if (this.threshold) finalDistribution.threshold(this.threshold);\n      if (this.limit) {\n        finalDistribution.topY(this.limit);\n        finalDistribution.sortX();\n      }\n      const sumAfter = finalDistribution.sumY;\n      this.confidence = (this.confidence * sumAfter) / sumBefore;\n    }\n\n    this.confidence /= this.parts.length;\n    this.cachedDistribution = finalDistribution;\n    return finalDistribution;\n  }\n\n  /**\n   *\n   * @param {object} options\n   * @param {string} [options.delimiter=', ']\n   * @param {number} [options.numberXDecimals=4]\n   * @param {number} [options.numberYDecimals=4]\n   * @returns\n   */\n  getCSV(options) {\n    return this.getText({ ...options, delimiter: ', ' });\n  }\n\n  /**\n   *\n   * @param {object} options\n   * @param {string} [options.delimiter='\\t']\n   * @param {number} [options.numberXDecimals=4]\n   * @param {number} [options.numberYDecimals=4]\n   * @returns\n   */\n  getTSV(options) {\n    return this.getText({ ...options, delimiter: '\\t' });\n  }\n\n  getTable(options = {}) {\n    const { maxValue, xLabel = 'x', yLabel = 'y' } = options;\n    let points = this.getDistribution().array;\n    if (points.length === 0) return [];\n    let factor = 1;\n    if (maxValue) {\n      let maxY = this.getMaxY(points);\n      factor = maxValue / maxY;\n    }\n    return points.map((point) => {\n      let newPoint = {};\n      newPoint[xLabel] = point.x;\n      newPoint[yLabel] = point.y * factor;\n      return newPoint;\n    });\n  }\n\n  /**\n   *\n   * @param {object} options\n   * @param {string} [options.delimiter='\\t']\n   * @param {number} [options.numberXDecimals=4]\n   * @param {number} [options.numberYDecimals=4]\n   * @returns\n   */\n  getText(options = {}) {\n    const {\n      delimiter = '\\t',\n      numberXDecimals = 5,\n      numberYDecimals = 3,\n    } = options;\n    let points = this.getDistribution().array;\n    let csv = [];\n    for (let point of points) {\n      csv.push(\n        `${point.x.toFixed(numberXDecimals)}${delimiter}${(\n          point.y * 100\n        ).toFixed(numberYDecimals)}`,\n      );\n    }\n    return csv.join('\\n');\n  }\n\n  getMaxY(points) {\n    let maxY = points[0].y;\n    for (let point of points) {\n      if (point.y > maxY) maxY = point.y;\n    }\n    return maxY;\n  }\n\n  getSumY(points) {\n    let sumY = 0;\n    for (let point of points) {\n      sumY += point.y;\n    }\n    return sumY;\n  }\n\n  /**\n   * Returns the isotopic distribution as an array of peaks\n   * @param {object} [options={}]\n   * @param {number} [options.maxValue=100]\n   * @param {number} [options.sumValue] // if sumValue is defined, maxValue is ignored\n   * @return {Array<{x:number,y:number}|{x:number,y:number,label:string,shortComposition:string,shortLabel:string,deltaNeutrons:number}>}\n   */\n  getPeaks(options = {}) {\n    const { maxValue = 100, sumValue } = options;\n    let peaks = this.getDistribution().array;\n    if (peaks.length === 0) return [];\n    let factor = 1;\n    if (sumValue) {\n      let sumY = this.getSumY(peaks);\n      factor = sumY / sumValue;\n    } else if (maxValue) {\n      let maxY = this.getMaxY(peaks);\n      factor = maxY / maxValue;\n    }\n    if (factor !== 1) {\n      // we need to copy the array because we prefer no side effects\n      peaks = structuredClone(peaks);\n      for (const peak of peaks) {\n        peak.y = peak.y / factor;\n      }\n    }\n    return peaks;\n  }\n\n  /**\n   * Returns the isotopic distirubtion\n   * @param {object} [options={}]\n   * @param {number} [options.maxValue=100]\n   * @param {number} [options.sumValue] // if sumValue is defined, maxValue is ignored\n   * @return {{x:number[],y:number[]}|{x:number[],y:number[],label:string[],shortComposition:string[],shortLabel:string[],deltaNeutrons:[]}}\n   */\n  getXY(options = {}) {\n    let peaks = this.getPeaks(options);\n\n    if (peaks.length === 0) {\n      return { x: [], y: [] };\n    }\n\n    const result = {\n      x: peaks.map((a) => a.x),\n      y: peaks.map((a) => a.y),\n    };\n\n    for (let key of Object.keys(peaks[0]).filter(\n      (k) => k !== 'x' && k !== 'y',\n    )) {\n      result[key] = peaks.map((a) => a[key]);\n    }\n\n    return result;\n  }\n\n  /**\n   * Returns the isotopic distirubtion\n   * @param {object} [options={}]\n   * @param {number} [options.maxValue=100]\n   * @param {number} [options.sumValue] // if sumValue is defined, maxValue is ignored\n   * @return {import('cheminfo-types').MeasurementXYVariables} an object containing at least the 2 properties: x:[] and y:[]\n   */\n  getVariables(options = {}) {\n    const xy = this.getXY(options);\n\n    return {\n      x: { data: xy.x, label: 'm/z', units: 'u' },\n      y: { data: xy.y, label: 'Relative intensity', units: '%' },\n    };\n  }\n\n  /**\n   * Returns the isotopic distribution as the sum of gaussian\n   * @param {object} [options={}]\n   * @param {number} [options.gaussianWidth=10] // how good should look the gaussian ? By default we take 10 times the fwhm as number of points\n   * @param {number} [options.threshold=0.00001] // minimal height to return point\n   * @param {number} [options.maxLength=1e6] // minimal height to return point\n   * @param {number} [options.maxValue] // rescale Y to reach maxValue\n   * @param {number} [options.from] // minimal x value, default to the first point - 2\n   * @param {number} [options.to] // maximal x value, default to the last point + 2\n   * @param {function} [options.peakWidthFct=(mz)=>(this.fwhm)]\n   * @return {XY} isotopic distribution as an object containing 2 properties: x:[] and y:[]\n   */\n\n  getGaussian(options = {}) {\n    const {\n      peakWidthFct = () => this.fwhm,\n      threshold = 0.00001,\n      gaussianWidth = 10,\n      maxValue,\n      maxLength = 1e6,\n    } = options;\n\n    let points = this.getTable({ maxValue });\n    if (points.length === 0) return { x: [], y: [] };\n    const from = Math.floor(options.from || points[0].x - 2);\n    const to = Math.ceil(options.to || points.at(-1).x + 2);\n    const nbPoints = Math.round(((to - from) * gaussianWidth) / this.fwhm + 1);\n    if (nbPoints > maxLength) {\n      throw new Error(\n        `Number of points is over the maxLength: ${nbPoints}>${maxLength}`,\n      );\n    }\n    let gaussianOptions = {\n      from,\n      to,\n      nbPoints,\n      peakWidthFct,\n    };\n\n    let spectrumGenerator = new SpectrumGenerator(gaussianOptions);\n    for (let point of points) {\n      spectrumGenerator.addPeak([point.x, point.y]);\n    }\n    let spectrum = spectrumGenerator.getSpectrum({ threshold });\n    if (maxValue) {\n      spectrum.y = xNormed(spectrum.y, {\n        algorithm: 'max',\n        value: maxValue,\n        output: spectrum.y,\n      });\n    }\n    return spectrum;\n  }\n}\n","/**\n * @param {object}   [entry={}]\n * @param {object}   [options={}]\n * @param {number}   [options.min=-Infinity] - Minimal unsaturation\n * @param {number}   [options.max=+Infinity] - Maximal unsaturation\n * @param {boolean}   [options.onlyInteger=false] - Integer unsaturation\n * @param {boolean}   [options.onlyNonInteger=false] - Non integer unsaturation\n * @return {boolean}\n */\n\nexport function unsaturationMatcher(entry, options = {}) {\n  const {\n    min = Number.MIN_SAFE_INTEGER,\n    max = Number.MAX_SAFE_INTEGER,\n    onlyInteger,\n    onlyNonInteger,\n  } = options;\n\n  if (entry.unsaturation !== undefined) {\n    if (entry.unsaturation < min || entry.unsaturation > max) return false;\n    if (onlyInteger && !Number.isInteger(entry.unsaturation)) return false;\n    if (onlyNonInteger && Number.isInteger(entry.unsaturation)) return false;\n  }\n  return true;\n}\n","import { getMsInfo } from 'mf-utilities';\nimport { xFindClosestIndex } from 'ml-spectra-processing';\n\nimport { unsaturationMatcher } from './unsaturationMatcher.js';\n\n/**\n * @typedef {object} MSEMFilterOptions\n * @property {object}         [ionization={ mf: '', em: 0, charge: 0 }] - ionization method\n * @property {boolean}        [forceIonization=false] - If true ignore existing ionizations\n * @property {number}         [precision=1000] - The precision on the experimental mass\n * @property {number}         [targetMass] - Target mass, allows to calculate error and filter results\n * @property {number[]}       [targetMasses] - Target masses: SORTED array of numbers\n * @property {number[]}       [targetIntensities] - Target intensities: SORTED array of numbers\n * @property {number}         [minMW=-Infinity] - Minimal monoisotopic mass\n * @property {number}         [maxMW=+Infinity] - Maximal monoisotopic mass\n * @property {number}         [minEM=-Infinity] - Minimal monoisotopic mass\n * @property {number}         [maxEM=+Infinity] - Maximal monoisotopic mass\n * @property {number}         [minMSEM=-Infinity] - Minimal monoisotopic mass observed by mass\n * @property {number}         [maxMSEM=+Infinity] - Maximal monoisotopic mass observed by mass\n * @property {number}         [minCharge=-Infinity] - Minimal charge\n * @property {number}         [maxCharge=+Infinity] - Maximal charge\n * @property {boolean}        [absoluteCharge=false] - If true, the charge is absolute (so between 0 and +Infinity by default)\n * @property {boolean}        [allowNegativeAtoms=false] - Allow to have negative number of atoms\n * @property {object}         [unsaturation={}]\n * @property {number}         [unsaturation.min=-Infinity] - Minimal unsaturation\n * @property {number}         [unsaturation.max=+Infinity] - Maximal unsaturation\n * @property {boolean}        [unsaturation.onlyInteger=false] - Integer unsaturation\n * @property {boolean}        [unsaturation.onlyNonInteger=false] - Non integer unsaturation\n * @property {boolean}        [atoms] - object of atom:{min, max}\n * @property {Function}       [callback] - a function that contains information about the current MF\n */\n\n/**\n * @param {object}             [entry={}]\n * @param {MSEMFilterOptions}  [options={}]\n * @return {boolean}\n */\n\n/**\n * We always recalculate msem\n */\n\nexport function msemMatcher(entry, options = {}) {\n  const {\n    ionization = { mf: '', em: 0, charge: 0, atoms: {} },\n    forceIonization = false,\n    precision = 1000,\n    minCharge = Number.MIN_SAFE_INTEGER,\n    maxCharge = Number.MAX_SAFE_INTEGER,\n    absoluteCharge = false,\n    unsaturation = {},\n    targetMass, // if present we will calculate the errors\n    targetMasses, // if present we will calculate the smallest error\n    targetIntensities, // if present it will be added in the report\n    minEM = -Infinity,\n    maxEM = +Infinity,\n    minMSEM = -Infinity,\n    maxMSEM = +Infinity,\n    minMW = -Infinity,\n    maxMW = +Infinity,\n    allowNegativeAtoms = false,\n    atoms,\n    callback,\n  } = options;\n\n  if (entry.mw !== undefined && (entry.mw < minMW || entry.mw > maxMW)) {\n    return false;\n  }\n\n  let msInfo = getMsInfo(entry, {\n    ionization,\n    forceIonization,\n    targetMass,\n  });\n  let ms = msInfo.ms;\n\n  if (entry.em !== undefined && (entry.em < minEM || entry.em > maxEM)) {\n    return false;\n  }\n\n  if (ms.em !== undefined && (ms.em < minMSEM || ms.em > maxMSEM)) {\n    return false;\n  }\n\n  if (targetMass && Math.abs(ms.ppm) > precision) {\n    return false;\n  }\n\n  if (ms.charge !== undefined) {\n    let charge = absoluteCharge ? Math.abs(ms.charge) : ms.charge;\n    if (charge < minCharge || charge > maxCharge) return false;\n  }\n  if (\n    unsaturation !== undefined &&\n    entry.unsaturation !== undefined &&\n    !unsaturationMatcher(entry, unsaturation)\n  ) {\n    return false;\n  }\n  if (entry.atoms !== undefined && atoms) {\n    // all the atoms of the entry must fit in the range\n    for (let atom in entry.atoms) {\n      if (!atoms[atom]) return false;\n      if (entry.atoms[atom] < atoms[atom].min) return false;\n      if (entry.atoms[atom] > atoms[atom].max) return false;\n    }\n  }\n\n  if (entry.atoms !== undefined && !allowNegativeAtoms) {\n    const ionizationAtoms =\n      (msInfo.ionization && msInfo.ionization.atoms) || {};\n    const atomKeys = new Set(\n      Object.keys(ionizationAtoms).concat(Object.keys(entry.atoms)),\n    );\n    for (let atom of atomKeys) {\n      if ((entry.atoms[atom] || 0) + (ionizationAtoms[atom] || 0) < 0) {\n        return false;\n      }\n    }\n  }\n\n  if (targetMasses && targetMasses.length > 0) {\n    let index = xFindClosestIndex(targetMasses, ms.em);\n    let closestMass = targetMasses[index];\n    msInfo = getMsInfo(entry, {\n      ionization,\n      forceIonization,\n      targetMass: closestMass,\n    });\n    msInfo.ms.target = { mass: closestMass };\n    if (targetIntensities) {\n      msInfo.ms.target.intensity = targetIntensities[index];\n    }\n    // need to find the closest targetMasses\n    if (Math.abs(msInfo.ms.ppm) > precision) return false;\n  }\n\n  if (callback && !callback(entry)) return false;\n\n  return msInfo;\n}\n","'use strict';\n\n/**\n * Modify object a to join it with b and make the sum of each of the keys\n * @param {*} a\n * @param {*} source1\n *\n * @return {object}\n */\n\nfunction sum(target) {\n    for (var i = 1; i < arguments.length; i++) {\n        let toSum = arguments[i];\n        for (var key of Object.keys(toSum)) {\n            if (target[key]) {\n                target[key] += toSum[key];\n            } else {\n                target[key] = toSum[key];\n            }\n        }\n    }\n    return target;\n}\n\nmodule.exports = sum;\n","import { ELECTRON_MASS } from 'chemical-elements';\nimport { msemMatcher } from 'mf-matcher';\nimport { MF } from 'mf-parser';\nimport { preprocessIonizations } from 'mf-utilities';\nimport sum from 'sum-object-keys';\n/**\n * Generate all the possible combinations of molecular formula and calculate\n * for each of them the monoisotopic mass and observed monoisotopic mass (m/z)\n * In the molecular formula there may be a comment after the '$' symbol\n *\n * @param {Array}         ranges\n * @param {object}        [options={}]\n * @param {number}        [options.limit=10000000] - Maximum number of results\n * @param {boolean}       [options.estimate=false] - estimate the number of MF without filters\n * @param {boolean}       [options.canonizeMF=true] - Canonize molecular formula\n * @param {boolean}       [options.uniqueMFs=true] - Force canonization and make MF unique\n * @param {string}        [options.ionizations=''] - Comma separated list of ionizations (to charge the molecule)\n * @param {function}      [options.onStep] - Callback to do after each step\n * @param {import('mf-matcher').MSEMFilterOptions}        [options.filter={}]\n * @param {string}        [options.filterFct]\n * @param {object}        [options.links]\n * @param {boolean}       [options.links.filter] We filter all the MF that do not match the '*X'\n * @returns {Promise}\n */\n\nexport async function generateMFs(ranges, options = {}) {\n  if (!Array.isArray(ranges)) {\n    throw new Error('Ranges must be an array of string or object');\n  }\n\n  options = { ...options };\n\n  let { limit = 100000, uniqueMFs = true, estimate = false, onStep } = options;\n\n  options.filterFctVariables = {};\n  for (let i = 0; i < ranges.length; i++) {\n    const range = ranges[i];\n    if (typeof range === 'object' && range.name) {\n      options.filterFctVariables[range.name] = i;\n      ranges[i] = range.value;\n    }\n  }\n\n  if (options.filterFct) {\n    // we create a real javascript function\n    let variables = Object.keys(options.filterFctVariables);\n    variables.push('mm', 'mz', 'charge', 'unsaturation', 'atoms');\n    // eslint-disable-next-line no-new-func\n    options.filterFct = new Function(\n      ...variables,\n      `return ${options.filterFct}`,\n    );\n  }\n\n  if (uniqueMFs === true) options.canonizeMF = true;\n  if (options.canonizeMF === undefined) options.canonizeMF = true;\n  options.ionizations = preprocessIonizations(options.ionizations);\n\n  // we allow String delimited by \". or ;\" instead of an array\n  for (let i = 0; i < ranges.length; i++) {\n    if (!Array.isArray(ranges[i])) {\n      ranges[i] = ranges[i].split(/[,.]/);\n    }\n  }\n\n  // we allow ranges in a string ...\n  // problem with ranges is that we need to know to what the range applies\n  for (let i = 0; i < ranges.length; i++) {\n    let parts = ranges[i];\n    let newParts = [];\n    for (let j = 0; j < parts.length; j++) {\n      let part = parts[j];\n      if (part.match(/\\d-[\\d-]/)) {\n        // deal with negative numbers\n        // there are ranges ... we are in trouble !\n        newParts = newParts.concat(\n          new MF(part).flatten({ groupIdentical: false, limit }),\n        );\n      } else {\n        newParts.push(parts[j]); // the part with the comments !\n      }\n    }\n    ranges[i] = newParts;\n  }\n\n  if (estimate) {\n    let total = ranges.reduce(\n      (previous, current) => previous * current.length,\n      1,\n    );\n    return total * options.ionizations.length;\n  }\n\n  let results = [];\n  let sizes = [];\n  let currents = [];\n  for (let i = 0; i < ranges.length; i++) {\n    sizes.push(ranges[i].length - 1);\n    currents.push(0);\n  }\n  let position = 0;\n  let evolution = 0;\n  while (position < currents.length) {\n    if (currents[position] < sizes[position]) {\n      if (onStep) await onStep(evolution);\n      evolution++;\n      appendResult(results, currents, ranges, options);\n      currents[position]++;\n      for (let i = 0; i < position; i++) {\n        currents[i] = 0;\n      }\n      position = 0;\n    } else {\n      position++;\n    }\n    if (evolution > limit) {\n      throw new Error(\n        `You have reached the limit of ${limit}. You could still change this value using the limit option but it is likely to crash.`,\n      );\n    }\n  }\n\n  appendResult(results, currents, ranges, options);\n  if (uniqueMFs) {\n    let uniqueMFsObject = {};\n    for (const result of results) {\n      uniqueMFsObject[result.mf + result.ionization.mf] = result;\n    }\n    results = Object.keys(uniqueMFsObject).map((k) => uniqueMFsObject[k]);\n  }\n  results.sort((a, b) => a.em - b.em);\n  return results;\n}\n\nlet ems = {};\n\n// internal method used as a cache\nfunction getMonoisotopicMass(mfString) {\n  if (!ems[mfString]) {\n    // we need to calculate based on the mf but not very often ...\n    let mf = new MF(mfString);\n    let info = mf.getInfo();\n    ems[mfString] = {\n      em: info.monoisotopicMass,\n      charge: info.charge,\n      mw: info.mass,\n      unsaturation: (info.unsaturation - 1) * 2,\n      atoms: info.atoms,\n    };\n  }\n  return ems[mfString];\n}\n\nfunction getEMFromParts(parts, currents, ionization) {\n  let charge = 0;\n  let em = 0;\n  let mw = 0;\n  let unsaturation = 0;\n  let validUnsaturation = true;\n  let atoms = {};\n\n  for (let i = 0; i < parts.length; i++) {\n    let part = parts[i][currents[i]];\n    if (part) {\n      let info = getMonoisotopicMass(part);\n      charge += info.charge;\n      em += info.em;\n      mw += info.mw;\n      sum(atoms, info.atoms);\n      if (info.unsaturation && validUnsaturation) {\n        unsaturation += info.unsaturation;\n      }\n    }\n  }\n\n  return {\n    charge,\n    em,\n    mw,\n    ionization,\n    unsaturation: validUnsaturation ? unsaturation / 2 + 1 : undefined,\n    atoms,\n  };\n}\n\nfunction appendResult(results, currents, keys, options = {}) {\n  const { canonizeMF, filter, ionizations, links = {} } = options;\n  // this script is designed to combine molecular formula\n  // that may contain comments after a \"$\" sign\n  // therefore we should put all the comments at the ned\n\n  if (links.filter) {\n    let sharps = [];\n    for (let i = 0; i < keys.length; i++) {\n      let anchors = keys[i][currents[i]].match(/#\\d+/g);\n      if (anchors) sharps.push(...anchors);\n    }\n    if (sharps.length % 2 === 1) return;\n    sharps = sharps.sort();\n    for (let i = 0; i < sharps.length; i += 2) {\n      if (sharps[i] !== sharps[i + 1]) return;\n    }\n  }\n\n  for (let ionization of ionizations) {\n    let result = getEMFromParts(keys, currents, ionization);\n    if (options.filterFct) {\n      let variables = [];\n      for (let key in options.filterFctVariables) {\n        variables.push(currents[options.filterFctVariables[key]]);\n      }\n\n      variables.push(\n        result.em,\n        (result.em + ionization.em - ionization.charge * ELECTRON_MASS) /\n          Math.abs(ionization.charge),\n        result.charge + result.ionization.charge,\n        result.unsaturation,\n        result.atoms,\n      );\n      if (!options.filterFct.apply(null, variables)) continue;\n    }\n\n    result.parts = [];\n    result.mf = '';\n\n    let comments = [];\n    for (let i = 0; i < keys.length; i++) {\n      let key = keys[i][currents[i]];\n      if (key) {\n        if (key.includes('$')) {\n          comments.push(key.replace(/^[^$]*\\$/, ''));\n          key = key.replace(/\\$.*/, '');\n        }\n        result.parts[i] = key;\n        result.mf += key;\n      }\n    }\n\n    if (comments.length > 0) {\n      result.comment = comments.join(' ');\n    }\n\n    let match = msemMatcher(result, filter);\n    if (!match) continue;\n    result.ms = match.ms;\n    result.ionization = match.ionization;\n\n    if (canonizeMF) {\n      result.mf = new MF(result.mf).toMF();\n    }\n\n    results.push(result);\n  }\n}\n","import { IsotopicDistribution } from 'isotopic-distribution';\nimport { generateMFs } from 'mf-generator';\nimport { xyObjectSlotX } from 'ml-spectra-processing';\n\n/**\n * Calculate tic for specific molecular formula and ionizations\n *\n * The system will take all the peaks with an intensity over 5% (default value)\n * @param {Chromatogram} chromatogram - GC/MS chromatogram where make the peak picking\n * @param {string} targetMF - mass for which to extract the spectrum\n * @param {object} [options={}]\n * @param {number} [options.slotWidth=1] - Width of the slot around the mass of targetMF\n * @param {number} [options.threshold=0.05] - Minimal height for peaks\n * @param {number} [options.ionizations='H+'] - List of allowed ionisation\n * @returns {Promise<Array>} - Calculated mass for targetMass\n */\nexport async function calculateForMF(chromatogram, targetMF, options = {}) {\n  const { threshold = 0.05, slotWidth = 1, ionizations = 'H+' } = options;\n\n  if (typeof targetMF !== 'string') {\n    throw new Error('targetMF must be defined and a string');\n  }\n\n  const mfInfos = await generateMFs([targetMF]);\n  const mfs = mfInfos.map((info) => info.mf);\n\n  const halfWidth = slotWidth / 2;\n\n  const ms = chromatogram.getSeries('ms');\n\n  let masses = [];\n  for (let mf of mfs) {\n    let isotopicDistribution = new IsotopicDistribution(mf, {\n      ionizations,\n    });\n    // we add isotopicDistribution in all the parts\n    isotopicDistribution.getDistribution();\n\n    let parts = isotopicDistribution.getParts();\n\n    masses = masses.concat(...parts.map((part) => part.isotopicDistribution));\n  }\n\n  masses.sort((a, b) => a.x - b.x);\n  masses = xyObjectSlotX(masses, { slotWidth }).filter(\n    (mass) => mass.y > threshold,\n  );\n\n  let massSpectra = ms.data;\n  let result = new Array(massSpectra.length).fill(0);\n  for (let targetMass of masses) {\n    for (let i = 0; i < massSpectra.length; i++) {\n      let massSpectrum = massSpectra[i];\n      for (let j = 0; j < massSpectrum[0].length; j++) {\n        if (Math.abs(massSpectrum[0][j] - targetMass.x) <= halfWidth) {\n          result[i] += massSpectrum[1][j];\n        }\n      }\n    }\n  }\n  return result;\n}\n","export function calculateLength(chromatogram, seriesName) {\n  const series2D = chromatogram.getSeries(seriesName);\n  const spectra = series2D.data;\n  const length = spectra.map((spectrum) => spectrum[0].length);\n  return length;\n}\n","import sum from 'ml-array-sum';\n\nexport function calculateTic(chromatogram) {\n  const ms = chromatogram.getSeries('ms');\n  const massSpectra = ms.data;\n  const tic = [];\n  for (const massSpectrum of massSpectra) {\n    if (massSpectrum[1].length > 0) {\n      tic.push(sum(massSpectrum[1]));\n    } else {\n      tic.push(0);\n    }\n  }\n\n  return tic;\n}\n","import { Matrix } from 'ml-matrix';\n\nexport function zeroInsteadOfNegative(X) {\n  let rows = X.rows;\n  let columns = X.columns;\n  let newMatrix = new Matrix(X);\n  for (let r = 0; r < rows; r++) {\n    for (let c = 0; c < columns; c++) {\n      if (newMatrix.get(r, c) < 0) {\n        newMatrix.set(r, c, 0);\n      }\n    }\n  }\n  return newMatrix;\n}\n","import { Matrix } from 'ml-matrix';\n\nimport { zeroInsteadOfNegative } from '../util/zeroInsteadOfNegative';\n\nexport function checkMatrixS(data, originalMatrix) {\n  let { A, S } = data;\n  //check if is there at least one element cero\n  let indices = [];\n  let sum = S.sum('row');\n\n  for (let i = 0; i < sum.length; i++) {\n    if (sum[i] === 0) {\n      indices.push(i);\n      continue;\n    } else {\n      for (let j = 0; j < S.columns; j++) {\n        if (isNaN(S.get(i, j))) {\n          indices.push(i);\n          break;\n        }\n      }\n    }\n  }\n  // if there than just one zero or NaN element\n  // run a NMF with the residual matrix Y - A*B\n  if (indices.length > 0) {\n    let temp = fastExtractNMF(\n      originalMatrix.clone().subM(A.mmul(S)),\n      indices.length,\n    );\n    for (let i = 0; i < indices.length; i++) {\n      for (let j = 0; j < S.columns; j++) {\n        S.set(indices[i], j, temp.S.get(i, j));\n      }\n      for (let j = 0; j < A.rows; j++) {\n        A.set(j, indices[i], temp.A.get(j, i));\n      }\n    }\n  }\n\n  return Object.assign({}, data, { A, S });\n}\n\nfunction fastExtractNMF(residual, r) {\n  if (r <= 0) return { A: [], S: [] };\n\n  const { columns, rows } = residual;\n\n  let A = Matrix.zeros(rows, r);\n  let S = Matrix.zeros(r, columns);\n  for (let i = 0; i < r; i++) {\n    residual = zeroInsteadOfNegative(residual);\n    if (residual.sum() === 0) continue;\n    let res2 = Matrix.pow(residual, 2).sum('column');\n    //find the max of the first column\n\n    let maxIndex = 0;\n    for (let j = 1; j < res2.length; j++) {\n      if (res2[maxIndex] < res2[j]) maxIndex = j;\n    }\n\n    if (res2[maxIndex] > 0) {\n      let sqrtMaxValue = Math.sqrt(res2[maxIndex]);\n      for (let j = 0; j < rows; j++) {\n        let value = residual.get(j, maxIndex) / sqrtMaxValue;\n        A.set(j, i, value);\n      }\n      let temp = A.getColumnVector(i).transpose().mmul(residual);\n      for (let j = 0; j < columns; j++) {\n        S.set(i, j, Math.max(temp.get(0, j), 0));\n      }\n      let subtracting = A.getColumnVector(i).mmul(S.getRowVector(i));\n      residual = residual.sub(subtracting);\n    }\n  }\n  return { A, S };\n}\n","import { Matrix } from 'ml-matrix';\n\nexport function normBy(x, by = 'column') {\n  let norms = Matrix.mul(x, x).sum(by);\n  let length = norms.length;\n  for (let i = 0; i < length; i++) {\n    norms[i] = Math.sqrt(norms[i]);\n  }\n  return by === 'row'\n    ? Matrix.from1DArray(length, 1, norms)\n    : Matrix.from1DArray(1, length, norms);\n}\n","import { normBy } from './normBy';\n\nexport function normProj(X, normLimits) {\n  let norms;\n  let r = X.rows;\n  let c = X.columns;\n  if (normLimits.rows === r) {\n    norms = normBy(X, 'row');\n    //select rows with norm > 0 then multiply twise by the min\n    for (let i = 0; i < r; i++) {\n      if (norms.get(i, 0) <= 0) continue;\n      for (let j = 0; j < c; j++) {\n        let value =\n          X.get(i, j) *\n          Math.min(norms.get(i, 0), normLimits.get(i, 0) / norms.get(i, 0));\n        X.set(i, j, value);\n      }\n    }\n  } else {\n    norms = normBy(X, 'column');\n    for (let i = 0; i < c; i++) {\n      if (norms.get(0, i) <= 0) continue;\n      for (let j = 0; j < r; j++) {\n        let value =\n          X.get(j, i) *\n          Math.min(norms.get(0, i), normLimits.get(0, i) / norms.get(0, i));\n        X.set(j, i, value);\n      }\n    }\n  }\n  return X;\n}\n","import { Matrix, EVD } from 'ml-matrix';\n\nimport { normBy } from '../util/normBy';\nimport { normProj } from '../util/normProj';\nimport { zeroInsteadOfNegative } from '../util/zeroInsteadOfNegative';\n\nexport function updateMatrixA(Ainit, S, originalMatrix, options) {\n  let {\n    maxFBIteration,\n    toleranceFB,\n    normConstrained = false,\n    lambda,\n  } = options;\n  let St = S.transpose();\n  let H = S.mmul(St);\n  let YSt = originalMatrix.mmul(St);\n  let evd = new EVD(H, { assumeSymmetric: true });\n  let L = Math.max(...evd.realEigenvalues);\n  let A = Ainit;\n  let prevA = A.clone();\n  let t = 1;\n\n  let gradient = (a) => a.mmul(H).sub(YSt);\n  let proximal;\n  if (normConstrained) {\n    let normLimits = normBy(Ainit, 'column');\n    proximal = (x, threshold) =>\n      normProj(zeroInsteadOfNegative(x.subS(threshold)), normLimits);\n  } else {\n    proximal = (x, threshold) => zeroInsteadOfNegative(x.subS(threshold));\n  }\n\n  for (let i = 0; i < maxFBIteration; i++) {\n    let tNext = (1 + Math.sqrt(1 + 4 * t * t)) / 2;\n    let w = (t - 1) / tNext;\n    t = tNext;\n    let B = Matrix.mul(A, w + 1).sub(Matrix.mul(prevA, w));\n    prevA = A.clone();\n    A = proximal(B.sub(gradient(B).divS(L)), lambda / L);\n    if (Matrix.sub(prevA, A).norm() / A.norm() < toleranceFB) {\n      break;\n    }\n  }\n  return A;\n}\n","export function getMax(array = []) {\n  let max = Number.MIN_SAFE_INTEGER;\n  for (let i = 0; i < array.length; i++) {\n    if (max < array[i]) max = array[i];\n  }\n  return max;\n}\n","import { Matrix, EVD } from 'ml-matrix';\n\nimport { getMax } from '../util/getMax';\nimport { zeroInsteadOfNegative } from '../util/zeroInsteadOfNegative';\n\nexport function updateMatrixS(A, Sinit, originalMatrix, lambda, options) {\n  let { maxFBIteration, toleranceFB } = options;\n  let At = A.transpose();\n  let H = At.mmul(A);\n  let AtY = At.mmul(originalMatrix);\n  let evd = new EVD(H, { assumeSymmetric: true });\n  let L = getMax(evd.realEigenvalues);\n  let t = 1;\n  let S = Sinit.clone();\n  let prevS = S.clone();\n  let gradient = (s) => H.mmul(s).sub(AtY);\n  let proximal = (x, threshold) => zeroInsteadOfNegative(x.subS(threshold));\n\n  for (let i = 0; i < maxFBIteration; i++) {\n    let tNext = (1 + Math.sqrt(1 + 4 * t * t)) / 2;\n    let w = (t - 1) / tNext;\n    t = tNext;\n    // R = S_k + w [S_k - S_(k-1)] = (1 + w) .* S_k - w .* S_(k-1)\n    let R = Matrix.mul(S, 1 + w).sub(Matrix.mul(prevS, w));\n    prevS = S.clone();\n    S = proximal(R.sub(gradient(R).divS(L)), lambda / L);\n    if (Matrix.sub(prevS, S).norm() / S.norm() < toleranceFB) {\n      break;\n    }\n  }\n  return S;\n}\n","import { Matrix, solve } from 'ml-matrix';\n\nimport { zeroInsteadOfNegative } from '../util/zeroInsteadOfNegative';\n\nimport { checkMatrixS } from './checkMatrixS';\nimport { updateMatrixA } from './updateMatrixA';\nimport { updateMatrixS } from './updateMatrixS';\n\nexport function initialize(originalMatrix, options = {}) {\n  const {\n    rank,\n    randGenerator,\n    maxInitFBIteration,\n    toleranceFBInit,\n    maxFBIteration,\n    toleranceFB,\n    normConstrained,\n  } = options;\n\n  let result = {};\n  let rows = originalMatrix.rows;\n\n  result.A = Matrix.rand(rows, rank, { random: randGenerator });\n\n  for (let iter = 0; iter < maxInitFBIteration; iter++) {\n    //select columns with sum positive from A\n    let sumC = result.A.sum('column');\n    for (let i = 0; i < sumC.length; i++) {\n      while (sumC[i] === 0) {\n        sumC[i] = 0;\n        for (let j = 0; j < rows; j++) {\n          result.A.set(j, i, randGenerator());\n          sumC[i] += result.A.get(j, i);\n        }\n      }\n    }\n\n    //resolve the system of equation Lx = D for x, then select just non negative values;\n    result.S = zeroInsteadOfNegative(solve(result.A, originalMatrix));\n\n    //select rows with positive sum by row\n    let sumR = result.S.sum('row');\n    let positiveSumRowIndexS = [];\n    let positiveSumRowS = [];\n    for (let i = 0; i < sumR.length; i++) {\n      if (sumR[i] > 0) {\n        positiveSumRowIndexS.push(i);\n        positiveSumRowS.push(result.S.getRow(i));\n      }\n    }\n\n    positiveSumRowS = Matrix.checkMatrix(positiveSumRowS);\n\n    // solve the system of linear equation xL = D for x. knowing that D/L = (L'\\D')'.\n    let candidateA = zeroInsteadOfNegative(\n      solve(positiveSumRowS.transpose(), originalMatrix.transpose()),\n    );\n\n    //then, set the columns of A with an index equal to the row index with sum > 0 into S\n    //this step complete the last transpose of D/L = (L'\\D')'.\n    for (let i = 0; i < positiveSumRowIndexS.length; i++) {\n      let colCandidate = candidateA.getRow(i);\n      for (let j = 0; j < rows; j++) {\n        result.A.set(j, positiveSumRowIndexS[i], colCandidate[j]);\n      }\n    }\n\n    let prevS = result.S.clone();\n    result.S = updateMatrixS(result.A, result.S, originalMatrix, 0, {\n      maxFBIteration,\n      toleranceFB,\n    });\n\n    result = checkMatrixS(result, originalMatrix);\n\n    result.A = updateMatrixA(result.A, result.S, originalMatrix, 0, {\n      maxFBIteration,\n      toleranceFB,\n      normConstrained,\n    });\n\n    if (\n      Matrix.sub(prevS, result.S).norm() / result.S.norm() <\n      toleranceFBInit\n    ) {\n      break;\n    }\n  }\n  return result;\n}\n","import { Matrix } from 'ml-matrix';\n\nimport { normBy } from '../util/normBy';\n\nexport function normalize(data, options) {\n  const { normOnA } = options;\n  let DS = normBy(data.S.transpose(), 'column');\n  let DA = normBy(data.A, 'column');\n  let D = Matrix.mul(DS, DA);\n  let onS, onA;\n  if (normOnA) {\n    onS = (index, c) =>\n      (data.S.get(index, c) * D.get(0, index)) / DS.get(0, index);\n    onA = (index, r) => data.A.get(r, index) / DA.get(0, index);\n  } else {\n    onS = (index, c) => data.S.get(index, c) / DS.get(0, index);\n    onA = (index, r) =>\n      (data.A.get(r, index) * D.get(0, index)) / DA.get(0, index);\n  }\n  const sColumns = data.S.columns;\n  const aRows = data.A.rows;\n  for (let index = 0; index < D.columns; index++) {\n    let valueForS, valueForA;\n    if (D.get(0, index) > 0) {\n      valueForS = onS;\n      valueForA = onA;\n    } else {\n      valueForA = () => 0;\n      valueForS = () => 0;\n    }\n    for (let c = 0; c < sColumns; c++) {\n      data.S.set(index, c, valueForS(index, c));\n    }\n    for (let r = 0; r < aRows; r++) {\n      data.A.set(r, index, valueForA(index, r));\n    }\n  }\n  return data;\n}\n","(function(){function a(d){for(var e=0,f=d.length-1,g=void 0,h=void 0,i=void 0,j=c(e,f);!0;){if(f<=e)return d[j];if(f==e+1)return d[e]>d[f]&&b(d,e,f),d[j];for(g=c(e,f),d[g]>d[f]&&b(d,g,f),d[e]>d[f]&&b(d,e,f),d[g]>d[e]&&b(d,g,e),b(d,g,e+1),h=e+1,i=f;!0;){do h++;while(d[e]>d[h]);do i--;while(d[i]>d[e]);if(i<h)break;b(d,h,i)}b(d,e,i),i<=j&&(e=h),i>=j&&(f=i-1)}}var b=function b(d,e,f){var _ref;return _ref=[d[f],d[e]],d[e]=_ref[0],d[f]=_ref[1],_ref},c=function c(d,e){return~~((d+e)/2)};'undefined'!=typeof module&&module.exports?module.exports=a:window.median=a})();\n","import median from 'median-quickselect';\nimport { Matrix } from 'ml-matrix';\n\nexport function getMedians(X, by) {\n  let medians = [];\n  let rows = X.rows;\n  let columns = X.columns;\n  switch (by) {\n    case 'column':\n      for (let i = 0; i < columns; i++) {\n        medians.push(median(X.getColumn(i)));\n      }\n      medians = Matrix.from1DArray(1, columns, medians);\n      break;\n    default:\n      for (let i = 0; i < rows; i++) {\n        medians.push(median(X.getRow(i)));\n      }\n      medians = Matrix.from1DArray(rows, 1, medians);\n  }\n  return medians;\n}\n","import { Matrix } from 'ml-matrix';\n\nimport { getMedians } from './getMedians';\n\nexport function dimMADstd(X, by) {\n  let medians = getMedians(X, by);\n  let matrix = X.clone();\n  matrix =\n    by === 'column'\n      ? matrix.subRowVector(medians.to1DArray())\n      : matrix.subColumnVector(medians.to1DArray());\n  return Matrix.mul(getMedians(matrix.abs(), by), 1.4826);\n}\n","import { Matrix } from 'ml-matrix';\n\nimport { dimMADstd } from '../util/dimMADstd';\n\nexport function updateLambda(data, originalMatrix, options = {}) {\n  let { refinementBeginning, tauMAD } = options;\n  let { iteration, lambda, A, S } = data;\n\n  if (refinementBeginning <= iteration) return lambda;\n\n  let sigmaResidue;\n  if (options.lambdaInf !== undefined) {\n    sigmaResidue = options.lambdaInf / options.tauMAD;\n  } else if (options.addStd !== undefined) {\n    sigmaResidue = options.addStd;\n  } else {\n    let alY = Matrix.sub(originalMatrix, A.mmul(S)).to1DArray();\n    let result = dimMADstd(Matrix.from1DArray(1, alY.length, alY), 'row');\n    sigmaResidue = result.get(0, 0);\n  }\n  let nextLambda = Math.max(\n    tauMAD * sigmaResidue,\n    lambda - 1 / (refinementBeginning - iteration),\n  );\n  return nextLambda;\n}\n","import { Matrix } from 'ml-matrix';\n\nimport { checkMatrixS } from './stages/checkMatrixS';\nimport { initialize } from './stages/initialize';\nimport { normalize } from './stages/normalize';\nimport { updateLambda } from './stages/updateLambda';\nimport { updateMatrixA } from './stages/updateMatrixA';\nimport { updateMatrixS } from './stages/updateMatrixS';\n\n/**\n * Performing non-negative matrix factorization solving argmin_(A >= 0, S >= 0) 1 / 2 * ||Y - AS||_2^2 + lambda * ||S||_1\n * @param {Matrix||Array<Array>} originalMatrix - Matrix to be separated.\n * @param {Number} rank - The maximum number of linearly independent column/row vectors in the matrix.\n * @param {Object} [options = {}] - Options of ngmca factorization method.\n * @param {Number} [options.maximumIteration = 500] - Maximum number of iterations.\n * @param {Number} [options.maxFBIteration = 80] - Maximum number of iterations of the Forward-Backward subroutine.\n * @param {Object} [options.randGenerator = Math.random] - Random number generator for the subroutine of initialization.\n * @param {Number} [options.maxInitFBIteration = 50] - Maximum number of iterations of the Forward-Backward subroutine at the initialization.\n * @param {Number} [options.toleranceFB = 1e-5] - relative difference tolerance for convergence of the Forward-Backward sub-iterations.\n * @param {Number} [options.toleranceFBInit = 0] - relative difference tolerance for convergence of the Forward-Backward sub-iterations at the initialization.\n * @param {Number} [options.phaseRatio = 0.8] - transition between decreasing thresholding phase and refinement phase in percent of the iterations.\n * @param {Number} [options.tauMAD = 1] - constant coefficient for the final threshold computation.\n * @param {Boolean} [options.useTranspose = false] - if true the originalMatrix is transposed.\n */\n\nexport function nGMCA(originalMatrix, rank, options = {}) {\n  const {\n    maximumIteration = 500,\n    maxFBIteration = 80,\n    maxInitFBIteration = 50,\n    toleranceFBInit = 0,\n    toleranceFB = 0.00001,\n    phaseRatio = 0.8,\n    randGenerator = Math.random,\n    tauMAD = 1,\n    useTranspose = false,\n  } = options;\n\n  let { normConstrained = false } = options;\n  originalMatrix = Matrix.checkMatrix(originalMatrix);\n  if (useTranspose) originalMatrix = originalMatrix.transpose();\n  let refinementBeginning = Math.floor(phaseRatio * maximumIteration);\n\n  let data = initialize(originalMatrix, {\n    rank,\n    randGenerator,\n    maxInitFBIteration,\n    toleranceFBInit,\n    maxFBIteration,\n    toleranceFB,\n  });\n\n  data = normalize(data, { normOnA: true });\n  data.lambda = data.A.transpose()\n    .mmul(data.A.mmul(data.S).sub(originalMatrix))\n    .abs()\n    .max();\n\n  for (let iter = 0; iter < maximumIteration; iter++) {\n    data.iteration = iter;\n    data.S = updateMatrixS(\n      data.A,\n      data.S,\n      originalMatrix,\n      data.lambda,\n      options,\n    );\n    data = checkMatrixS(data, originalMatrix);\n    data = normalize(data, { normOnA: false });\n\n    if (iter > refinementBeginning) normConstrained = true;\n\n    data.A = updateMatrixA(data.A, data.S, originalMatrix, {\n      maxFBIteration,\n      toleranceFB,\n      normConstrained,\n      lambda: 0,\n    });\n\n    data = normalize(data, { normOnA: true });\n\n    data.lambda = updateLambda(data, originalMatrix, {\n      refinementBeginning,\n      tauMAD,\n    });\n  }\n\n  if (useTranspose) {\n    let temp = data.A.transpose();\n    data.A = data.S.transpose();\n    data.S = temp;\n  }\n  return data;\n}\n","import { Matrix, MatrixTransposeView, EVD, SVD, NIPALS, } from 'ml-matrix';\n/**\n * Creates new PCA (Principal Component Analysis) from the dataset\n * @param {MaybeMatrix} dataset - dataset or covariance matrix.\n * @param {PCAOptions} [options]\n * @param {boolean} [options.isCovarianceMatrix=false] - true if the dataset is a covariance matrix.\n * @param {string} [options.method='SVD'] - select which method to use: SVD (default), covarianceMatrirx or NIPALS.\n * @param {number} [options.nCompNIPALS=2] - number of components to be computed with NIPALS.\n * @param {boolean} [options.center=true] - should the data be centered (subtract the mean).\n * @param {boolean} [options.scale=false] - should the data be scaled (divide by the standard deviation).\n * @param {boolean} [options.ignoreZeroVariance=false] - ignore columns with zero variance if `scale` is `true`.\n * */\nexport class PCA {\n    constructor(dataset, options = {}, model) {\n        /* eslint-disable @typescript-eslint/naming-convention */\n        this.U = null;\n        this.S = null;\n        if (model) {\n            this.center = model.center;\n            this.scale = model.scale;\n            this.means = model.means;\n            this.stdevs = model.stdevs;\n            this.U = Matrix.checkMatrix(model.U);\n            this.S = model.S;\n            this.R = model.R;\n            this.excludedFeatures = model.excludedFeatures || [];\n            return;\n        }\n        let datasetMatrix;\n        if (Array.isArray(dataset)) {\n            datasetMatrix = new Matrix(dataset);\n        }\n        else {\n            datasetMatrix = new Matrix(dataset);\n        }\n        const { isCovarianceMatrix = false, method = 'SVD', nCompNIPALS = 2, center = true, scale = false, ignoreZeroVariance = false, } = options;\n        this.center = center;\n        this.scale = scale;\n        this.means = null;\n        this.stdevs = null;\n        this.excludedFeatures = [];\n        if (isCovarianceMatrix) {\n            // User provided a covariance matrix instead of dataset.\n            this._computeFromCovarianceMatrix(datasetMatrix);\n            return;\n        }\n        this._adjust(datasetMatrix, ignoreZeroVariance);\n        switch (method) {\n            case 'covarianceMatrix': {\n                // User provided a dataset but wants us to compute and use the covariance matrix.\n                const covarianceMatrix = new MatrixTransposeView(datasetMatrix)\n                    .mmul(datasetMatrix)\n                    .div(datasetMatrix.rows - 1);\n                this._computeFromCovarianceMatrix(covarianceMatrix);\n                break;\n            }\n            case 'NIPALS': {\n                this._computeWithNIPALS(datasetMatrix, nCompNIPALS);\n                break;\n            }\n            case 'SVD': {\n                const svd = new SVD(datasetMatrix, {\n                    computeLeftSingularVectors: false,\n                    computeRightSingularVectors: true,\n                    autoTranspose: true,\n                });\n                this.U = svd.rightSingularVectors;\n                const singularValues = svd.diagonal;\n                const eigenvalues = [];\n                for (const singularValue of singularValues) {\n                    eigenvalues.push((singularValue * singularValue) / (datasetMatrix.rows - 1));\n                }\n                this.S = eigenvalues;\n                break;\n            }\n            default: {\n                throw new Error(`unknown method: ${method}`);\n            }\n        }\n    }\n    /**\n     * Load a PCA model from JSON\n     * @param {PCAModel} model\n     * @return {PCA}\n     */\n    static load(model) {\n        if (typeof model.name !== 'string') {\n            throw new TypeError('model must have a name property');\n        }\n        if (model.name !== 'PCA') {\n            throw new RangeError(`invalid model: ${model.name}`);\n        }\n        return new PCA(undefined, undefined, model);\n    }\n    /**\n     * Project the dataset into the PCA space\n     * @param {MaybeMatrix} dataset\n     * @param {PredictOptions} options\n     * @return {Matrix} dataset projected in the PCA space\n     */\n    predict(dataset, options = {}) {\n        const { nComponents = this.U.columns } = options;\n        let datasetmatrix;\n        if (Array.isArray(dataset)) {\n            datasetmatrix = new Matrix(dataset);\n        }\n        else {\n            datasetmatrix = new Matrix(dataset);\n        }\n        if (this.center) {\n            datasetmatrix.subRowVector(this.means);\n            if (this.scale) {\n                for (let i of this.excludedFeatures) {\n                    datasetmatrix.removeColumn(i);\n                }\n                datasetmatrix.divRowVector(this.stdevs);\n            }\n        }\n        let predictions = datasetmatrix.mmul(this.U);\n        return predictions.subMatrix(0, predictions.rows - 1, 0, nComponents - 1);\n    }\n    /**\n     * Calculates the inverse PCA transform\n     * @param {Matrix} dataset\n     * @return {Matrix} dataset projected in the PCA space\n     */\n    invert(dataset) {\n        dataset = Matrix.checkMatrix(dataset);\n        let inverse = dataset.mmul(this.U.transpose());\n        if (this.center) {\n            if (this.scale) {\n                inverse.mulRowVector(this.stdevs);\n            }\n            inverse.addRowVector(this.means);\n        }\n        return inverse;\n    }\n    /**\n     * Returns the proportion of variance for each component\n     * @return {[number]}\n     */\n    getExplainedVariance() {\n        let sum = 0;\n        if (this.S) {\n            for (const s of this.S) {\n                sum += s;\n            }\n        }\n        if (this.S) {\n            return this.S.map((value) => value / sum);\n        }\n        return [];\n    }\n    /**\n     * Returns the cumulative proportion of variance\n     * @return {[number]}\n     */\n    getCumulativeVariance() {\n        let explained = this.getExplainedVariance();\n        for (let i = 1; i < explained.length; i++) {\n            explained[i] += explained[i - 1];\n        }\n        return explained;\n    }\n    /**\n     * Returns the Eigenvectors of the covariance matrix\n     * @returns {Matrix}\n     */\n    getEigenvectors() {\n        return this.U;\n    }\n    /**\n     * Returns the Eigenvalues (on the diagonal)\n     * @returns {[number]}\n     */\n    getEigenvalues() {\n        return this.S;\n    }\n    /**\n     * Returns the standard deviations of the principal components\n     * @returns {[number]}\n     */\n    getStandardDeviations() {\n        return this.S.map((x) => Math.sqrt(x));\n    }\n    /**\n     * Returns the loadings matrix\n     * @return {Matrix}\n     */\n    getLoadings() {\n        return this.U.transpose();\n    }\n    /**\n     * Export the current model to a JSON object\n     * @return {Object} model\n     */\n    toJSON() {\n        return {\n            name: 'PCA',\n            center: this.center,\n            scale: this.scale,\n            means: this.means,\n            stdevs: this.stdevs,\n            U: this.U,\n            S: this.S,\n            excludedFeatures: this.excludedFeatures,\n        };\n    }\n    _adjust(dataset, ignoreZeroVariance) {\n        if (this.center) {\n            const mean = dataset.mean('column');\n            const stdevs = this.scale\n                ? dataset.standardDeviation('column', { mean })\n                : null;\n            this.means = mean;\n            dataset.subRowVector(mean);\n            if (this.scale) {\n                for (let i = 0; i < stdevs.length; i++) {\n                    if (stdevs[i] === 0) {\n                        if (ignoreZeroVariance) {\n                            dataset.removeColumn(i);\n                            stdevs.splice(i, 1);\n                            this.excludedFeatures.push(i);\n                            i--;\n                        }\n                        else {\n                            throw new RangeError(`Cannot scale the dataset (standard deviation is zero at index ${i}`);\n                        }\n                    }\n                }\n                this.stdevs = stdevs;\n                dataset.divRowVector(stdevs);\n            }\n        }\n    }\n    _computeFromCovarianceMatrix(dataset) {\n        const evd = new EVD(dataset, { assumeSymmetric: true });\n        this.U = evd.eigenvectorMatrix;\n        this.U.flipRows();\n        this.S = evd.realEigenvalues;\n        this.S.reverse();\n    }\n    _computeWithNIPALS(dataset, nCompNIPALS) {\n        this.U = new Matrix(nCompNIPALS, dataset.columns);\n        this.S = [];\n        let x = dataset;\n        for (let i = 0; i < nCompNIPALS; i++) {\n            let dc = new NIPALS(x);\n            this.U.setRow(i, dc.w.transpose());\n            this.S.push(Math.pow(dc.s.get(0, 0), 2));\n            x = dc.xResidual;\n        }\n        this.U = this.U.transpose(); // to be compatible with API\n    }\n}\n//# sourceMappingURL=pca.js.map","import { PCA } from 'ml-pca';\n\n/**\n * Estimate the number of pure components of each range by NIPALS PCA\n * @param {Chromatogram} chromatogram - GC/MS chromatogram where make the estimation\n * @param {object} options - options with range and the matrix\n * @param {object} [options.range] - Range of retention times.\n * @param {number} [options.range.from] - lower limit in the retention time.\n * @param {number} [options.range.to] - upper limit in the retention time.\n * @param {Array<Array>} [options.matrix] - matrix to compute the number of pure components, if does not exist it will be computed.\n */\n\nexport function estimateNbPureComponents(chromatogram, options = {}) {\n  let { range, matrix } = options;\n\n  if (!matrix) matrix = chromatogram.getMzVsTimesMatrix(range).matrix;\n\n  let pca = new PCA(matrix, {\n    method: 'NIPALS',\n    nCompNIPALS: 10,\n    scale: true,\n    ignoreZeroVariance: true,\n  });\n  let s = pca.getExplainedVariance();\n  let rank = 1;\n  let cumulative = s[0];\n  while ((cumulative - s[rank]) / cumulative < 0.88 && rank < s.length) {\n    cumulative += s[rank];\n    rank++;\n  }\n  return rank;\n}\n","import { nGMCA } from 'ml-ngmca';\n\nimport { estimateNbPureComponents } from '../util/estimateNbPureComponents';\n\n/**\n * Performing non-negative matrix factorization solving argmin_(A >= 0, S >= 0) 1 / 2 * ||Y - AS||_2^2 + lambda * ||S||_1\n * @param {Chromatogram} chromatogram - GC/MS chromatogram where make the estimation.\n * @param {object} [options = {}] - Options of ngmca factorization method\n * @param {number} [options.rank] - number of pure components, if it's undefined it will be estimated by explained variance of PCA.\n * @param {object} [options.range] - Range with from to.\n * @param {number} [options.range.from] - lower limit in the retention time.\n * @param {number} [options.range.to] - upper limit in the retention time.\n * @param {number} [options.nmfOptions = {}] - options to Non negative factorization (deconvolution method).\n * @param {number} [options.nmfOptions.maximumIteration = 500] - Maximum number of iterations.\n * @param {number} [options.nmfOptions.maxFBIteration = 80] - Maximum number of iterations of the Forward-Backward subroutine.\n * @param {number} [options.nmfOptions.toleranceFB = 1e-5] - relative difference tolerance for convergence of the Forward-Backward sub-iterations.\n * @param {number} [options.nmfOptions.phaseRatio = 0.8] - transition between decreasing thresholding phase and refinement phase in percent of the iterations.\n * @param {boolean} [options.useTranspose = false] - if true the originalMatrix is transposed.\n */\n\nexport function deconvolution(chromatogram, options = {}) {\n  let { range, rank, nmfOptions = {} } = options;\n  let { matrix, mzAxis, times } = chromatogram.getMzVsTimesMatrix(range);\n\n  if (!rank) rank = estimateNbPureComponents(chromatogram, { range, matrix });\n\n  if (rank < 1) {\n    throw new RangeError(\n      `Rank should be a positive number for ${range.from} - ${range.to}`,\n    );\n  }\n\n  let result = nGMCA(matrix, rank, nmfOptions);\n  let maxByRow = [];\n  for (let i = 0; i < result.S.rows; i++) {\n    maxByRow.push(result.S.maxRow(i));\n  }\n\n  result.S.scale('row', { scale: maxByRow });\n  result.A.scale('column', {\n    scale: maxByRow.map((e) => 1 / e),\n  });\n\n  return {\n    matrix,\n    times,\n    mzAxis,\n    rank,\n    profile: result.A,\n    component: result.S,\n  };\n}\n","import {\n  xySortX,\n  xGetFromToIndex,\n  xyArrayWeightedMerge,\n} from 'ml-spectra-processing';\n\nexport function merge(chromatogram, options = {}) {\n  let { mergeThreshold = 0.3, seriesName = 'ms', range = {} } = options;\n\n  const time = chromatogram.getTimes();\n\n  chromatogram.requiresSeries(seriesName);\n  let series = chromatogram.series[seriesName];\n  if (series.dimension !== 2) {\n    throw new Error(`The series \"${seriesName}\" is not of dimension 2`);\n  }\n\n  if (!range || range.from > time.at(-1) || range.to < time[0]) {\n    return { x: [], y: [] };\n  }\n  let { fromIndex, toIndex } = xGetFromToIndex(time, range);\n\n  let data = series.data\n    .slice(fromIndex, toIndex + 1)\n    .map((datum) => xySortX({ x: datum[0], y: datum[1] }));\n\n  return {\n    ...xyArrayWeightedMerge(data, { delta: mergeThreshold }),\n    from: {\n      index: fromIndex,\n      time: time[fromIndex],\n    },\n    to: {\n      index: toIndex,\n      time: time[toIndex],\n    },\n  };\n}\n","// Based on https://github.com/scijs/cholesky-solve\n\n/*\nThe MIT License (MIT)\n\nCopyright (c) 2013 Eric Arnebäck\n\nPermission is hereby granted, free of charge, to any person obtaining a copy\nof this software and associated documentation files (the \"Software\"), to deal\nin the Software without restriction, including without limitation the rights\nto use, copy, modify, merge, publish, distribute, sublicense, and/or sell\ncopies of the Software, and to permit persons to whom the Software is\nfurnished to do so, subject to the following conditions:\n\nThe above copyright notice and this permission notice shall be included in\nall copies or substantial portions of the Software.\n\nTHE SOFTWARE IS PROVIDED \"AS IS\", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR\nIMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,\nFITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE\nAUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER\nLIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,\nOUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN\nTHE SOFTWARE.\n*/\n\nfunction ldlSymbolic(\n  n /* A and L are n-by-n, where n >= 0 */,\n  Ap /* input of size n + 1, not modified */,\n  Ai /* input of size nz=Ap[n], not modified */,\n  Lp /* output of size n + 1, not defined on input */,\n  Parent /* output of size n, not defined on input */,\n  Lnz /* output of size n, not defined on input */,\n  Flag /* workspace of size n, not defn. on input or output */,\n) {\n  let i, k, p, kk, p2;\n\n  for (k = 0; k < n; k++) {\n    /* L(k,:) pattern: all nodes reachable in etree from nz in A(0:k-1,k) */\n    Parent[k] = -1; /* parent of k is not yet known */\n    Flag[k] = k; /* mark node k as visited */\n    Lnz[k] = 0; /* count of nonzeros in column k of L */\n    kk = k; /* kth original, or permuted, column */\n    p2 = Ap[kk + 1];\n    for (p = Ap[kk]; p < p2; p++) {\n      /* A (i,k) is nonzero (original or permuted A) */\n      i = Ai[p];\n\n      if (i < k) {\n        /* follow path from i to root of etree, stop at flagged node */\n        for (; Flag[i] !== k; i = Parent[i]) {\n          /* find parent of i if not yet determined */\n          if (Parent[i] === -1) Parent[i] = k;\n          Lnz[i]++; /* L (k,i) is nonzero */\n          Flag[i] = k; /* mark i as visited */\n        }\n      }\n    }\n  }\n  /* construct Lp index array from Lnz column counts */\n  Lp[0] = 0;\n  for (k = 0; k < n; k++) {\n    Lp[k + 1] = Lp[k] + Lnz[k];\n  }\n}\n\nfunction ldlNumeric(\n  n /* A and L are n-by-n, where n >= 0 */,\n  Ap /* input of size n+1, not modified */,\n  Ai /* input of size nz=Ap[n], not modified */,\n  Ax /* input of size nz=Ap[n], not modified */,\n  Lp /* input of size n+1, not modified */,\n  Parent /* input of size n, not modified */,\n  Lnz /* output of size n, not defn. on input */,\n  Li /* output of size lnz=Lp[n], not defined on input */,\n  Lx /* output of size lnz=Lp[n], not defined on input */,\n  D /* output of size n, not defined on input */,\n  Y /* workspace of size n, not defn. on input or output */,\n  Pattern /* workspace of size n, not defn. on input or output */,\n  Flag /* workspace of size n, not defn. on input or output */,\n) {\n  let yi, lKi;\n  let i, k, p, kk, p2, len, top;\n  for (k = 0; k < n; k++) {\n    /* compute nonzero Pattern of kth row of L, in topological order */\n    Y[k] = 0.0; /* Y(0:k) is now all zero */\n    top = n; /* stack for pattern is empty */\n    Flag[k] = k; /* mark node k as visited */\n    Lnz[k] = 0; /* count of nonzeros in column k of L */\n    kk = k; /* kth original, or permuted, column */\n    p2 = Ap[kk + 1];\n    for (p = Ap[kk]; p < p2; p++) {\n      i = Ai[p]; /* get A(i,k) */\n      if (i <= k) {\n        Y[i] += Ax[p]; /* scatter A(i,k) into Y (sum duplicates) */\n        for (len = 0; Flag[i] !== k; i = Parent[i]) {\n          Pattern[len++] = i; /* L(k,i) is nonzero */\n          Flag[i] = k; /* mark i as visited */\n        }\n        while (len > 0) Pattern[--top] = Pattern[--len];\n      }\n    }\n    /* compute numerical values kth row of L (a sparse triangular solve) */\n    D[k] = Y[k]; /* get D(k,k) and clear Y(k) */\n    Y[k] = 0.0;\n    for (; top < n; top++) {\n      i = Pattern[top]; /* Pattern[top:n-1] is pattern of L(:,k) */\n      yi = Y[i]; /* get and clear Y(i) */\n      Y[i] = 0.0;\n      p2 = Lp[i] + Lnz[i];\n      for (p = Lp[i]; p < p2; p++) {\n        Y[Li[p]] -= Lx[p] * yi;\n      }\n      lKi = yi / D[i]; /* the nonzero entry L(k,i) */\n      D[k] -= lKi * yi;\n      Li[p] = k; /* store L(k,i) in column form of L */\n      Lx[p] = lKi;\n      Lnz[i]++; /* increment count of nonzeros in col i */\n    }\n\n    if (D[k] === 0.0) return k; /* failure, D(k,k) is zero */\n  }\n\n  return n; /* success, diagonal of D is all nonzero */\n}\n\nfunction ldlLsolve(\n  n /* L is n-by-n, where n >= 0 */,\n  X /* size n. right-hand-side on input, soln. on output */,\n  Lp /* input of size n+1, not modified */,\n  Li /* input of size lnz=Lp[n], not modified */,\n  Lx /* input of size lnz=Lp[n], not modified */,\n) {\n  let j, p, p2;\n  for (j = 0; j < n; j++) {\n    p2 = Lp[j + 1];\n    for (p = Lp[j]; p < p2; p++) {\n      X[Li[p]] -= Lx[p] * X[j];\n    }\n  }\n}\n\nfunction ldlDsolve(\n  n /* D is n-by-n, where n >= 0 */,\n  X /* size n. right-hand-side on input, soln. on output */,\n  D /* input of size n, not modified */,\n) {\n  let j;\n  for (j = 0; j < n; j++) {\n    X[j] /= D[j];\n  }\n}\n\nfunction ldlLTsolve(\n  n /* L is n-by-n, where n >= 0 */,\n  X /* size n. right-hand-side on input, soln. on output */,\n  Lp /* input of size n+1, not modified */,\n  Li /* input of size lnz=Lp[n], not modified */,\n  Lx /* input of size lnz=Lp[n], not modified */,\n) {\n  let j, p, p2;\n  for (j = n - 1; j >= 0; j--) {\n    p2 = Lp[j + 1];\n    for (p = Lp[j]; p < p2; p++) {\n      X[j] -= Lx[p] * X[Li[p]];\n    }\n  }\n}\n\nfunction ldlPerm(\n  n /* size of X, B, and P */,\n  X /* output of size n. */,\n  B /* input of size n. */,\n  P /* input permutation array of size n. */,\n) {\n  let j;\n  for (j = 0; j < n; j++) {\n    X[j] = B[P[j]];\n  }\n}\n\nfunction ldlPermt(\n  n /* size of X, B, and P */,\n  X /* output of size n. */,\n  B /* input of size n. */,\n  P /* input permutation array of size n. */,\n) {\n  let j;\n  for (j = 0; j < n; j++) {\n    X[P[j]] = B[j];\n  }\n}\n\nfunction prepare(M, n, P) {\n  // if a permutation was specified, apply it.\n  if (P) {\n    let Pinv = new Array(n);\n\n    for (let k = 0; k < n; k++) {\n      Pinv[P[k]] = k;\n    }\n\n    let Mt = []; // scratch memory\n    // Apply permutation. We make M into P*M*P^T\n    for (let a = 0; a < M.length; ++a) {\n      let ar = Pinv[M[a][0]];\n      let ac = Pinv[M[a][1]];\n\n      // we only store the upper-diagonal elements(since we assume matrix is symmetric, we only need to store these)\n      // if permuted element is below diagonal, we simply transpose it.\n      if (ac < ar) {\n        let t = ac;\n        ac = ar;\n        ar = t;\n      }\n\n      Mt[a] = [];\n      Mt[a][0] = ar;\n      Mt[a][1] = ac;\n      Mt[a][2] = M[a][2];\n    }\n\n    M = Mt; // copy scratch memory.\n  } else {\n    // if P argument is null, we just use an identity permutation.\n    P = [];\n    for (let i = 0; i < n; ++i) {\n      P[i] = i;\n    }\n  }\n\n  // The sparse matrix we are decomposing is A.\n  // Now we shall create A from M.\n  let Ap = new Array(n + 1);\n  let Ai = new Array(M.length);\n  let Ax = new Array(M.length);\n\n  // count number of non-zero elements in columns.\n  let LNZ = [];\n  for (let i = 0; i < n; ++i) {\n    LNZ[i] = 0;\n  }\n  for (let a = 0; a < M.length; ++a) {\n    LNZ[M[a][1]]++;\n  }\n\n  Ap[0] = 0;\n  for (let i = 0; i < n; ++i) {\n    Ap[i + 1] = Ap[i] + LNZ[i];\n  }\n\n  let coloffset = [];\n  for (let a = 0; a < n; ++a) {\n    coloffset[a] = 0;\n  }\n\n  // go through all elements in M, and add them to sparse matrix A.\n  for (let i = 0; i < M.length; ++i) {\n    let e = M[i];\n    let col = e[1];\n\n    let adr = Ap[col] + coloffset[col];\n    Ai[adr] = e[0];\n    Ax[adr] = e[2];\n\n    coloffset[col]++;\n  }\n\n  let D = new Array(n);\n  let Y = new Array(n);\n  let Lp = new Array(n + 1);\n  let Parent = new Array(n);\n  let Lnz = new Array(n);\n  let Flag = new Array(n);\n  let Pattern = new Array(n);\n  let bp1 = new Array(n);\n  let x = new Array(n);\n  let d;\n\n  ldlSymbolic(n, Ap, Ai, Lp, Parent, Lnz, Flag);\n\n  let Lx = new Array(Lp[n]);\n  let Li = new Array(Lp[n]);\n\n  d = ldlNumeric(n, Ap, Ai, Ax, Lp, Parent, Lnz, Li, Lx, D, Y, Pattern, Flag);\n\n  if (d === n) {\n    return (b) => {\n      ldlPerm(n, bp1, b, P);\n      ldlLsolve(n, bp1, Lp, Li, Lx);\n      ldlDsolve(n, bp1, D);\n      ldlLTsolve(n, bp1, Lp, Li, Lx);\n      ldlPermt(n, x, bp1, P);\n\n      return x;\n    };\n  } else {\n    return null;\n  }\n}\n\nexport { prepare as default };\n","'use strict'\n\nmodule.exports = cuthillMckee\n\nfunction compareNum(a, b) { return a - b }\n\nfunction cuthillMckee(list, n) {\n  var adj = new Array(n)\n  var visited = new Array(n)\n  for(var i=0; i<n; ++i) {\n    adj[i]     = []\n    visited[i] = false\n  }\n\n  for(var i=0; i<list.length; ++i) {\n    var l = list[i]\n    adj[l[0]].push(l[1])\n  }\n\n  var toVisit = new Array(n)\n  var eol = 0\n  var ptr = 0\n  for(var i=0; i<n; ++i) {\n    if(visited[i]) {\n      continue\n    }\n    toVisit[eol++] = i\n    visited[i] = true\n    while(ptr < eol) {\n      var v = toVisit[ptr++]\n      var nbhd = adj[v]\n      nbhd.sort(compareNum)\n      for(var j=0; j<nbhd.length; ++j) {\n        var u = nbhd[j]\n        if(visited[u]) {\n          continue\n        }\n        visited[u] = true\n        toVisit[eol++] = u\n      }\n    }\n  }\n\n  var result = new Array(n)\n  for(var i=0; i<n; ++i) {\n    result[toVisit[i]] = i\n  }\n\n  return result\n}\n","import cuthillMckee from 'cuthill-mckee';\n\nconst getClosestNumber = (array = [], goal = 0) => {\n  const closest = array.reduce((prev, curr) => {\n    return Math.abs(curr - goal) < Math.abs(prev - goal) ? curr : prev;\n  });\n  return closest;\n};\n\nconst getCloseIndex = (array = [], goal = 0) => {\n  const closest = getClosestNumber(array, goal);\n  return array.indexOf(closest);\n};\n\nconst updateSystem = (matrix, y, weights) => {\n  let nbPoints = y.length;\n  let l = nbPoints - 1;\n  let newMatrix = new Array(matrix.length);\n  let newVector = new Float64Array(nbPoints);\n  for (let i = 0; i < l; i++) {\n    let w = weights[i];\n    let diag = i * 2;\n    let next = diag + 1;\n    newMatrix[diag] = matrix[diag].slice();\n    newMatrix[next] = matrix[next].slice();\n    if (w === 0) {\n      newVector[i] = 0;\n    } else {\n      newVector[i] = y[i] * w;\n      newMatrix[diag][2] += w;\n    }\n  }\n  newVector[l] = y[l] * weights[l];\n  newMatrix[l * 2] = matrix[l * 2].slice();\n  newMatrix[l * 2][2] += weights[l];\n\n  return [newMatrix, newVector];\n};\n\nconst getDeltaMatrix = (nbPoints, lambda) => {\n  let matrix = [];\n  let last = nbPoints - 1;\n  for (let i = 0; i < last; i++) {\n    matrix.push([i, i, lambda * 2]);\n    matrix.push([i + 1, i, -1 * lambda]);\n  }\n  matrix[0][2] = lambda;\n  matrix.push([last, last, lambda]);\n  return {\n    lowerTriangularNonZeros: matrix,\n    permutationEncodedArray: cuthillMckee(matrix, nbPoints),\n  };\n};\n\nexport { updateSystem, getDeltaMatrix, getCloseIndex, getClosestNumber };\n","import { xMultiply, xNoiseSanPlot, xAbsoluteSum } from 'ml-spectra-processing';\n\nimport cholesky from './choleskySolver';\nimport { updateSystem, getDeltaMatrix, getCloseIndex } from './utils';\n\nfunction getControlPoints(x, y, options = {}) {\n  const { length } = x;\n  let { controlPoints = Int8Array.from({ length }).fill(0) } = options;\n  const { zones = [], weights = Float64Array.from({ length }).fill(1) } =\n    options;\n\n  if (x.length !== y.length) {\n    throw new RangeError('Y should match the length with X');\n  } else if (controlPoints.length !== x.length) {\n    throw new RangeError('controlPoints should match the length with X');\n  } else if (weights.length !== x.length) {\n    throw new RangeError('weights should match the length with X');\n  }\n\n  zones.forEach((range) => {\n    let indexFrom = getCloseIndex(x, range.from);\n    let indexTo = getCloseIndex(x, range.to);\n    if (indexFrom > indexTo) [indexFrom, indexTo] = [indexTo, indexFrom];\n    for (let i = indexFrom; i < indexTo; i++) {\n      controlPoints[i] = 1;\n    }\n  });\n\n  return {\n    weights:\n      'controlPoints' in options || zones.length > 0\n        ? xMultiply(weights, controlPoints)\n        : weights,\n    controlPoints,\n  };\n}\n\n/**\n * Fit the baseline drift by iteratively changing weights of sum square error between the fitted baseline and original signals,\n * for further information about the parameters you can get the [paper of airPLS](https://github.com/zmzhang/airPLS/blob/main/airPLS_manuscript.pdf)\n * @param {Array<number>} x - x axis data useful when control points or zones are submitted\n * @param {Array<number>} y - Original data\n * @param {object} [options={}] - Options object\n * @param {number} [options.maxIterations = 100] - Maximal number of iterations if the method does not reach the stop criterion\n * @param {number} [options.tolerance = 0.001] - Factor of the sum of absolute value of original data, to compute stop criterion\n * @param {Array<number>} [options.weights = [1,1,...]] - Initial weights vector, default each point has the same weight\n * @param {number} [options.lambda = 100] - Factor of weights matrix in -> [I + lambda D'D]z = x\n * @param {Array<number>} [options.controlPoints = []] - Array of 0|1 to force the baseline cross those points.\n * @param {Array<number>} [options.zones = []] - Array of x axis values (as from - to), to force that baseline cross those zones.\n * @returns {{corrected: Array<number>, error: number, iteration: number, baseline: Array<number>}}\n */\n\nexport default function airPLS(x, y, options = {}) {\n  const { weights, controlPoints } = getControlPoints(x, y, options);\n  let { maxIterations = 100, lambda = 10, tolerance = 0.001 } = options;\n\n  let baseline, iteration;\n  let sumNegDifferences = Number.MAX_SAFE_INTEGER;\n  const corrected = Float64Array.from(y);\n  let stopCriterion = getStopCriterion(y, tolerance);\n\n  const { length } = y;\n  let { lowerTriangularNonZeros, permutationEncodedArray } = getDeltaMatrix(\n    length,\n    lambda,\n  );\n\n  let threshold = 1;\n  const l = length - 1;\n  let prevNegSum = Number.MAX_SAFE_INTEGER;\n  for (\n    iteration = 0;\n    iteration < maxIterations && Math.abs(sumNegDifferences) > stopCriterion;\n    iteration++\n  ) {\n    let [leftHandSide, rightHandSide] = updateSystem(\n      lowerTriangularNonZeros,\n      y,\n      weights,\n    );\n\n    let cho = cholesky(leftHandSide, length, permutationEncodedArray);\n\n    baseline = cho(rightHandSide);\n\n    sumNegDifferences = applyCorrection(y, baseline, corrected);\n    if (iteration === 1) {\n      const { positive } = xNoiseSanPlot(corrected);\n      threshold = positive;\n    } else {\n      const absChange = Math.abs(prevNegSum / sumNegDifferences);\n      if (absChange < 1.01 && absChange > 0.99) {\n        break;\n      }\n    }\n\n    prevNegSum = sumNegDifferences + 0;\n    for (let i = 1; i < l; i++) {\n      const diff = corrected[i];\n      if (controlPoints[i] < 1 && Math.abs(diff) > threshold) {\n        weights[i] = 0;\n      } else {\n        const factor = diff > 0 ? -1 : 1;\n        weights[i] = Math.exp(\n          (factor * (iteration * diff)) / Math.abs(sumNegDifferences),\n        );\n      }\n    }\n\n    weights[0] = 1;\n    weights[l] = 1;\n  }\n\n  return {\n    corrected,\n    baseline,\n    iteration,\n    error: sumNegDifferences,\n  };\n\n  function applyCorrection(y, baseline, corrected) {\n    let sumNegDifferences = 0;\n    for (let i = 0; i < y.length; i++) {\n      let diff = y[i] - baseline[i];\n      if (diff < 0) sumNegDifferences += diff;\n      corrected[i] = diff;\n    }\n\n    return sumNegDifferences;\n  }\n}\n\nfunction getStopCriterion(y, tolerance) {\n  let sum = xAbsoluteSum(y);\n  return tolerance * sum;\n}\n","var IDX=256, HEX=[], BUFFER;\nwhile (IDX--) HEX[IDX] = (IDX + 256).toString(16).substring(1);\n\nexport function v4() {\n\tvar i=0, num, out='';\n\n\tif (!BUFFER || ((IDX + 16) > 256)) {\n\t\tBUFFER = Array(i=256);\n\t\twhile (i--) BUFFER[i] = 256 * Math.random() | 0;\n\t\ti = IDX = 0;\n\t}\n\n\tfor (; i < 16; i++) {\n\t\tnum = BUFFER[IDX + i];\n\t\tif (i==6) out += HEX[num & 15 | 64];\n\t\telse if (i==8) out += HEX[num & 63 | 128];\n\t\telse out += HEX[num];\n\n\t\tif (i & 1 && i > 1 && i < 11) out += '-';\n\t}\n\n\tIDX++;\n\treturn out;\n}\n","import { isAnyArray } from 'is-any-array';\n/**\n * Apply Savitzky Golay algorithm\n * @param [ys] Array of y values\n * @param [xs] Array of X or deltaX\n * @return  Array containing the new ys (same length)\n */\nexport function sgg(ys, xs, options = {}) {\n    const { windowSize = 9, derivative = 0, polynomial = 3 } = options;\n    if (windowSize % 2 === 0 || windowSize < 5 || !Number.isInteger(windowSize)) {\n        throw new RangeError('Invalid window size (should be odd and at least 5 integer number)');\n    }\n    if (!isAnyArray(ys)) {\n        throw new TypeError('Y values must be an array');\n    }\n    if (typeof xs === 'undefined') {\n        throw new TypeError('X must be defined');\n    }\n    if (windowSize > ys.length) {\n        throw new RangeError(`Window size is higher than the data length ${windowSize}>${ys.length}`);\n    }\n    if (derivative < 0 || !Number.isInteger(derivative)) {\n        throw new RangeError('Derivative should be a positive integer');\n    }\n    if (polynomial < 1 || !Number.isInteger(polynomial)) {\n        throw new RangeError('Polynomial should be a positive integer');\n    }\n    if (polynomial >= 6) {\n        // eslint-disable-next-line no-console\n        console.warn('You should not use polynomial grade higher than 5 if you are' +\n            ' not sure that your data arises from such a model. Possible polynomial oscillation problems');\n    }\n    const half = Math.floor(windowSize / 2);\n    const np = ys.length;\n    const ans = new Float64Array(np);\n    const weights = fullWeights(windowSize, polynomial, derivative);\n    let hs = 0;\n    let constantH = true;\n    if (isAnyArray(xs)) {\n        constantH = false;\n    }\n    else {\n        hs = xs ** derivative;\n    }\n    //For the borders\n    for (let i = 0; i < half; i++) {\n        const wg1 = weights[half - i - 1];\n        const wg2 = weights[half + i + 1];\n        let d1 = 0;\n        let d2 = 0;\n        for (let l = 0; l < windowSize; l++) {\n            d1 += wg1[l] * ys[l];\n            d2 += wg2[l] * ys[np - windowSize + l];\n        }\n        if (constantH) {\n            ans[half - i - 1] = d1 / hs;\n            ans[np - half + i] = d2 / hs;\n        }\n        else {\n            hs = getHs(xs, half - i - 1, half, derivative);\n            ans[half - i - 1] = d1 / hs;\n            hs = getHs(xs, np - half + i, half, derivative);\n            ans[np - half + i] = d2 / hs;\n        }\n    }\n    //For the internal points\n    const wg = weights[half];\n    for (let i = windowSize; i <= np; i++) {\n        let d = 0;\n        for (let l = 0; l < windowSize; l++)\n            d += wg[l] * ys[l + i - windowSize];\n        if (!constantH) {\n            hs = getHs(xs, i - half - 1, half, derivative);\n        }\n        ans[i - half - 1] = d / hs;\n    }\n    return ans;\n}\nfunction getHs(h, center, half, derivative) {\n    let hs = 0;\n    let count = 0;\n    for (let i = center - half; i < center + half; i++) {\n        if (i >= 0 && i < h.length - 1) {\n            hs += h[i + 1] - h[i];\n            count++;\n        }\n    }\n    return (hs / count) ** derivative;\n}\nfunction gramPoly(i, m, k, s) {\n    let Grampoly = 0;\n    if (k > 0) {\n        Grampoly =\n            ((4 * k - 2) / (k * (2 * m - k + 1))) *\n                (i * gramPoly(i, m, k - 1, s) + s * gramPoly(i, m, k - 1, s - 1)) -\n                (((k - 1) * (2 * m + k)) / (k * (2 * m - k + 1))) *\n                    gramPoly(i, m, k - 2, s);\n    }\n    else if (k === 0 && s === 0) {\n        Grampoly = 1;\n    }\n    else {\n        Grampoly = 0;\n    }\n    return Grampoly;\n}\nfunction genFact(a, b) {\n    let gf = 1;\n    if (a >= b) {\n        for (let j = a - b + 1; j <= a; j++) {\n            gf *= j;\n        }\n    }\n    return gf;\n}\nfunction weight(i, t, m, n, s) {\n    let sum = 0;\n    for (let k = 0; k <= n; k++) {\n        sum +=\n            (2 * k + 1) *\n                (genFact(2 * m, k) / genFact(2 * m + k + 1, k + 1)) *\n                gramPoly(i, m, k, 0) *\n                gramPoly(t, m, k, s);\n    }\n    return sum;\n}\n/**\n * @private\n * @param m  Number of points\n * @param n  Polynomial grade\n * @param s  Derivative\n */\nfunction fullWeights(m, n, s) {\n    const weights = new Array(m);\n    const np = Math.floor(m / 2);\n    for (let t = -np; t <= np; t++) {\n        weights[t + np] = new Float64Array(m);\n        for (let j = -np; j <= np; j++) {\n            weights[t + np][j + np] = weight(j, t, np, n, s);\n        }\n    }\n    return weights;\n}\n//# sourceMappingURL=index.js.map","/**\n * Correction of the x and y coordinates using a quadratic optimizations with the peak and its 3 closest neighbors to determine the true x,y values of the peak.\n * This process is done in place and is very fast.\n * @param data\n * @param peaks\n */\nexport function optimizeTop(data, peaks) {\n    const { x, y } = data;\n    for (const peak of peaks) {\n        let currentIndex = peak.index;\n        // The detected peak could be moved 1 or 2 units to left or right.\n        if (y[currentIndex - 1] >= y[currentIndex - 2] &&\n            y[currentIndex - 1] >= y[currentIndex]) {\n            currentIndex--;\n        }\n        else if (y[currentIndex + 1] >= y[currentIndex] &&\n            y[currentIndex + 1] >= y[currentIndex + 2]) {\n            currentIndex++;\n        }\n        else if (y[currentIndex - 2] >= y[currentIndex - 3] &&\n            y[currentIndex - 2] >= y[currentIndex - 1]) {\n            currentIndex -= 2;\n        }\n        else if (y[currentIndex + 2] >= y[currentIndex + 1] &&\n            y[currentIndex + 2] >= y[currentIndex + 3]) {\n            currentIndex += 2;\n        }\n        // interpolation to a sin() function\n        if (y[currentIndex - 1] > 0 &&\n            y[currentIndex + 1] > 0 &&\n            y[currentIndex] >= y[currentIndex - 1] &&\n            y[currentIndex] >= y[currentIndex + 1] &&\n            (y[currentIndex] !== y[currentIndex - 1] ||\n                y[currentIndex] !== y[currentIndex + 1])) {\n            const alpha = 20 * Math.log10(y[currentIndex - 1]);\n            const beta = 20 * Math.log10(y[currentIndex]);\n            const gamma = 20 * Math.log10(y[currentIndex + 1]);\n            const p = (0.5 * (alpha - gamma)) / (alpha - 2 * beta + gamma);\n            peak.x = x[currentIndex] + (x[currentIndex] - x[currentIndex - 1]) * p;\n            peak.y =\n                y[currentIndex] -\n                    0.25 * (y[currentIndex - 1] - y[currentIndex + 1]) * p;\n        }\n    }\n}\n//# sourceMappingURL=optimizeTop.js.map","import { v4 as generateID } from '@lukeed/uuid';\nimport { sgg } from 'ml-savitzky-golay-generalized';\nimport { xIsEquallySpaced, xIsMonotonic, xNoiseStandardDeviation, xMinMaxValues, } from 'ml-spectra-processing';\nimport { optimizeTop } from './utils/optimizeTop';\n/**\n * Global spectra deconvolution\n * @param  data - Object data with x and y arrays. Values in x has to be growing\n * @param {number} [options.broadRatio = 0.00] - If `broadRatio` is higher than 0, then all the peaks which second derivative\n * smaller than `broadRatio * maxAbsSecondDerivative` will be marked with the soft mask equal to true.\n\n */\nexport function gsd(data, options = {}) {\n    let { noiseLevel } = options;\n    const { sgOptions = {\n        windowSize: 9,\n        polynomial: 3,\n    }, smoothY = false, maxCriteria = true, minMaxRatio = 0.00025, realTopDetection = false, } = options;\n    const { x } = data;\n    let { y } = data;\n    if (xIsMonotonic(x) !== 1) {\n        throw new Error('GSD only accepts monotone increasing x values');\n    }\n    //rescale;\n    y = y.slice();\n    // If the max difference between delta x is less than 5%, then,\n    // we can assume it to be equally spaced variable\n    const equallySpaced = xIsEquallySpaced(x);\n    if (noiseLevel === undefined) {\n        if (equallySpaced) {\n            const noiseInfo = xNoiseStandardDeviation(y);\n            if (maxCriteria) {\n                noiseLevel = noiseInfo.median + 1.5 * noiseInfo.sd;\n            }\n            else {\n                noiseLevel = -noiseInfo.median + 1.5 * noiseInfo.sd;\n            }\n        }\n        else {\n            noiseLevel = 0;\n        }\n    }\n    else if (!maxCriteria) {\n        noiseLevel *= -1;\n    }\n    if (!maxCriteria) {\n        for (let i = 0; i < y.length; i++) {\n            y[i] *= -1;\n        }\n    }\n    if (noiseLevel !== undefined) {\n        for (let i = 0; i < y.length; i++) {\n            if (y[i] < noiseLevel) {\n                y[i] = noiseLevel;\n            }\n        }\n    }\n    const xValue = equallySpaced ? x[1] - x[0] : x;\n    const yData = smoothY\n        ? sgg(y, xValue, {\n            ...sgOptions,\n            derivative: 0,\n        })\n        : y;\n    const dY = sgg(y, xValue, {\n        ...sgOptions,\n        derivative: 1,\n    });\n    const ddY = sgg(y, xValue, {\n        ...sgOptions,\n        derivative: 2,\n    });\n    const { min: minY, max: maxY } = xMinMaxValues(yData);\n    if (minY > maxY || minY === maxY)\n        return [];\n    const yThreshold = minY + (maxY - minY) * minMaxRatio;\n    const dX = x[1] - x[0];\n    let lastMax = null;\n    let lastMin = null;\n    const minddY = [];\n    const intervalL = [];\n    const intervalR = [];\n    // By the intermediate value theorem We cannot find 2 consecutive maximum or minimum\n    for (let i = 1; i < yData.length - 1; ++i) {\n        if ((dY[i] < dY[i - 1] && dY[i] <= dY[i + 1]) ||\n            (dY[i] <= dY[i - 1] && dY[i] < dY[i + 1])) {\n            lastMin = {\n                x: x[i],\n                index: i,\n            };\n            if (dX > 0 && lastMax !== null) {\n                intervalL.push(lastMax);\n                intervalR.push(lastMin);\n            }\n        }\n        // Maximum in first derivative\n        if ((dY[i] >= dY[i - 1] && dY[i] > dY[i + 1]) ||\n            (dY[i] > dY[i - 1] && dY[i] >= dY[i + 1])) {\n            lastMax = {\n                x: x[i],\n                index: i,\n            };\n            if (dX < 0 && lastMin !== null) {\n                intervalL.push(lastMax);\n                intervalR.push(lastMin);\n            }\n        }\n        // Minimum in second derivative\n        if (ddY[i] < ddY[i - 1] && ddY[i] < ddY[i + 1]) {\n            minddY.push(i);\n        }\n    }\n    let lastK = -1;\n    const peaks = [];\n    for (const minddYIndex of minddY) {\n        const deltaX = x[minddYIndex];\n        let possible = -1;\n        let k = lastK + 1;\n        let minDistance = Number.POSITIVE_INFINITY;\n        let currentDistance = 0;\n        while (possible === -1 && k < intervalL.length) {\n            currentDistance = Math.abs(deltaX - (intervalL[k].x + intervalR[k].x) / 2);\n            if (currentDistance < (intervalR[k].x - intervalL[k].x) / 2) {\n                possible = k;\n                lastK = k;\n            }\n            ++k;\n            // Not getting closer?\n            if (currentDistance >= minDistance) {\n                break;\n            }\n            minDistance = currentDistance;\n        }\n        if (possible !== -1) {\n            if (yData[minddYIndex] > yThreshold) {\n                const width = Math.abs(intervalR[possible].x - intervalL[possible].x);\n                peaks.push({\n                    id: generateID(),\n                    x: deltaX,\n                    y: yData[minddYIndex],\n                    width,\n                    index: minddYIndex,\n                    ddY: ddY[minddYIndex],\n                    inflectionPoints: {\n                        from: intervalL[possible],\n                        to: intervalR[possible],\n                    },\n                });\n            }\n        }\n    }\n    if (realTopDetection) {\n        optimizeTop({ x, y: yData }, peaks);\n    }\n    peaks.forEach((peak) => {\n        if (!maxCriteria) {\n            peak.y *= -1;\n            peak.ddY = peak.ddY * -1;\n        }\n    });\n    peaks.sort((a, b) => {\n        return a.x - b.x;\n    });\n    return peaks;\n}\n//# sourceMappingURL=gsd.js.map","import { getShape1D } from 'ml-peak-shape-generator';\n/**\n * This method will allow to enlarge peaks while preventing overlap between peaks\n * A typical application in chromatography peak picking.\n * We should not make the hypothesis that x is equidistant\n * Because peaks may not be symmetric after we add 2 properties, from and to.\n * @return {Array} peakList\n */\nexport function broadenPeaks(peakList, options = {}) {\n    const { factor = 2, overlap = false } = options;\n    const peaks = mapPeaks(peakList, factor);\n    if (!overlap) {\n        for (let i = 0; i < peaks.length - 1; i++) {\n            const peak = peaks[i];\n            const nextPeak = peaks[i + 1];\n            if (peak.to.x > nextPeak.from.x) {\n                // we do it proportional to the width of the peaks\n                peak.to.x =\n                    (peak.width / (nextPeak.width + peak.width)) * (nextPeak.x - peak.x) +\n                        peak.x;\n                nextPeak.from.x = peak.to.x;\n            }\n        }\n    }\n    for (const peak of peaks) {\n        peak.width = peak.to.x - peak.from.x;\n        if (peak.shape) {\n            const { shape, width } = peak;\n            if (shape.fwhm !== undefined) {\n                const shapeFct = getShape1D(shape);\n                peak.shape.fwhm = shapeFct.widthToFWHM(width);\n            }\n        }\n    }\n    return peaks;\n}\nfunction mapPeaks(peaks, factor) {\n    return peaks.map((peak) => {\n        const { id, shape } = peak;\n        const xFrom = peak.x - (peak.x - peak.inflectionPoints.from.x) * factor;\n        const xTo = peak.x + (peak.inflectionPoints.to.x - peak.x) * factor;\n        let result = {\n            x: peak.x,\n            y: peak.y,\n            index: peak.index,\n            width: xTo - xFrom,\n            from: { x: xFrom },\n            to: { x: xTo },\n        };\n        if (id) {\n            result = { ...result, id };\n        }\n        if (shape) {\n            result = { ...result, shape };\n        }\n        return result;\n    });\n}\n//# sourceMappingURL=broadenPeaks.js.map","import airpls from 'ml-airpls';\nimport { gsd, broadenPeaks } from 'ml-gsd';\nimport { xMedianAbsoluteDeviation } from 'ml-spectra-processing';\n\n/**\n * Returns the result of a peak picking in the chromatogram\n *\n * Make a peak picking on a chromatogram is not obvious because the baseline is often not close to 0\n * and it is therefore difficult to filter by height.\n * We will therefore consider as height of a peak 2 times the height between the top and the middle\n * of the inflection points.\n *\n * In order to calculate the noise the same problem occurs, baseline is not horizontal.\n * We therefore calculate the median absolute deviation after baseline correction using airpls.\n * This noise will be used to filter the peak based on the 'heightFilter'.\n * @param {*} chromatogram\n * @param {object} [options={}]\n * @param {number} [options.heightFilter=5] - Peak height should be this factor times the noise (Median Absolute Deviation)\n * @param {string} [options.seriesName='tic']\n * @param {object} [options.broadenPeaksOptions='tic']\n * @returns\n */\n\nexport function getPeaks(chromatogram, options = {}) {\n  const {\n    heightFilter = 5,\n    seriesName = 'tic',\n    broadenPeaksOptions = { factor: 1, overlap: false },\n  } = options;\n\n  const series = chromatogram.getSeries(seriesName).data;\n  const times = chromatogram.getTimes();\n  const dataXY = { x: times, y: series };\n  // first peak selection\n  let peakList = gsd(dataXY, {\n    noiseLevel: 0,\n    realTopDetection: false,\n    smoothY: true,\n    sgOptions: { windowSize: 5, polynomial: 2 },\n  });\n\n  const noiseHeight =\n    xMedianAbsoluteDeviation(airpls(dataXY.x, dataXY.y).corrected).mad *\n    heightFilter;\n\n  peakList = peakList.filter(\n    (peak) =>\n      (peak.y -\n        (dataXY.y[peak.inflectionPoints.from.index] +\n          dataXY.y[peak.inflectionPoints.to.index]) /\n          2) *\n        2 >\n      noiseHeight,\n  );\n\n  peakList.sort((a, b) => a.x - b.x);\n\n  const broadenPeaksList = broadenPeaks(peakList, broadenPeaksOptions);\n\n  return broadenPeaksList.map((peak) => ({\n    from: peak.from.x,\n    to: peak.to.x,\n    width: peak.width,\n    retentionTime: peak.x,\n    intensity: peak.y,\n  }));\n}\n","export function filter(chromatogram, callback, options = {}) {\n  const { copy = false } = options;\n  if (copy) {\n    chromatogram = chromatogram.copy();\n  }\n\n  let times = chromatogram.getTimes();\n  let newTimes = [];\n  let indexToKeep = [];\n  for (let i = 0; i < times.length; i++) {\n    if (callback(i, times[i])) {\n      indexToKeep.push(i);\n      newTimes.push(times[i]);\n    }\n  }\n  chromatogram.times = newTimes;\n\n  for (let key of chromatogram.getSeriesNames()) {\n    const series = chromatogram.getSeries(key);\n    series.keep(indexToKeep);\n  }\n\n  return chromatogram;\n}\n","export function getClosestData(chromatogram, time, options = {}) {\n  const { seriesName = 'ms' } = options;\n  chromatogram.requiresSeries(seriesName);\n  let closest = chromatogram.getClosestTime(time);\n  return {\n    rt: chromatogram.getTimes()[closest],\n    index: closest,\n    data: chromatogram.getSeries(seriesName).data[closest],\n  };\n}\n","import { Matrix } from 'ml-matrix';\nimport { xFindClosestIndex } from 'ml-spectra-processing';\n\n/**\n * Return the submatrix, times, and mass x axis for each range\n * @param chromatogram\n * @param {object} range - from - to of the TIC\n * @param {number} [range.from] - lower limit in the retention time\n * @param {number} [range.to] - upper limit in the retention time\n * @returns {object} - submatrix, times and m/z axis of the range.\n */\nexport function getMzVsTimesMatrix(chromatogram, range) {\n  let { from, to } = range;\n  let fromIndex = chromatogram.getClosestTime(from);\n  let toIndex = chromatogram.getClosestTime(to);\n\n  let data = chromatogram.series.ms.data.slice(fromIndex, toIndex);\n  let times = chromatogram.times.slice(fromIndex, toIndex);\n\n  let mzAxis = new Set();\n  for (let i = 0; i < data.length; i++) {\n    let spectrum = data[i];\n    for (let j = 0; j < spectrum[0].length; j++) {\n      mzAxis.add(Math.round(spectrum[0][j]));\n    }\n  }\n  mzAxis = Array.from(mzAxis).sort((a, b) => a - b);\n  const nbPoints = mzAxis.length;\n  const matrix = new Matrix(data.length, nbPoints);\n  for (let i = 0; i < data.length; i++) {\n    let element = data[i];\n    for (let j = 0; j < element[0].length; j++) {\n      let xValue = Math.round(element[0][j]);\n      let index = xFindClosestIndex(mzAxis, xValue);\n      matrix.set(i, index, element[1][j]);\n    }\n  }\n  return { times, mzAxis, matrix };\n}\n","export function baselineCorrection(points, fromTo, kind) {\n  const deltaTime = points.x[fromTo.toIndex] - points.x[fromTo.fromIndex];\n  const fromHeight = points.y[fromTo.fromIndex];\n  const toHeight = points.y[fromTo.toIndex];\n  let baseline = 0;\n  let from = 0;\n  let to = 0;\n  switch (kind) {\n    case 'trapezoid':\n      baseline = (deltaTime * (fromHeight + toHeight)) / 2;\n      from = fromHeight;\n      to = toHeight;\n      break;\n    case 'min':\n      from = Math.min(fromHeight, toHeight);\n      to = from;\n      baseline = deltaTime * from;\n      break;\n    default:\n      throw new Error(`Unknown baseline method \"${kind}\"`);\n  }\n  return {\n    value: baseline,\n    from,\n    to,\n  };\n}\n","import { xGetFromToIndex, xyIntegration } from 'ml-spectra-processing';\n\nimport { baselineCorrection } from './baselineCorrection';\n\nexport function integrate(chromatogram, ranges, options = {}) {\n  const { baseline, seriesName = 'tic' } = options;\n\n  if (!Array.isArray(ranges)) {\n    throw new Error('Ranges must be an array of type [{from,to}]');\n  }\n  if (ranges.length === 0) {\n    return [];\n  }\n\n  chromatogram.requiresSeries(seriesName);\n  let series = chromatogram.series[seriesName];\n  if (series.dimension !== 1) {\n    throw new Error(`The series \"${seriesName}\" is not of dimension 1`);\n  }\n\n  const time = chromatogram.getTimes();\n  let results = [];\n\n  for (let range of ranges) {\n    const fromTo = xGetFromToIndex(time, range);\n    const integral = integrateRange(\n      { x: time, y: series.data },\n      fromTo,\n      baseline,\n    );\n    results.push(integral);\n  }\n\n  return results;\n}\n\nfunction integrateRange(points, fromTo, baseline) {\n  let integration = xyIntegration(points, fromTo);\n\n  if (baseline) {\n    let correction = baselineCorrection(points, fromTo, baseline);\n    return {\n      integration: integration - correction.value,\n      from: {\n        time: points.x[fromTo.fromIndex],\n        index: fromTo.fromIndex,\n        baseline: correction.from,\n      },\n      to: {\n        time: points.x[fromTo.toIndex],\n        index: fromTo.toIndex,\n        baseline: correction.to,\n      },\n    };\n  } else {\n    return {\n      integration,\n      from: {\n        time: points.x[fromTo.fromIndex],\n        index: fromTo.fromIndex,\n        baseline: 0,\n      },\n      to: {\n        time: points.x[fromTo.toIndex],\n        index: fromTo.toIndex,\n        baseline: 0,\n      },\n    };\n  }\n}\n","import { isAnyArray } from 'is-any-array';\nimport { xFindClosestIndex } from 'ml-spectra-processing';\n\nimport { meanFilter } from './filter/meanFilter';\nimport { percentageFilter } from './filter/percentageFilter';\nimport { applyLockMass } from './ms/applyLockMass';\nimport { calculateBpc } from './ms/calculateBpc';\nimport { calculateEic } from './ms/calculateEic';\nimport { calculateForMF } from './ms/calculateForMF';\nimport { calculateLength } from './ms/calculateLength';\nimport { calculateTic } from './ms/calculateTic';\nimport { deconvolution } from './ms/deconvolution';\nimport { merge } from './ms/merge';\nimport { getPeaks } from './peaks/getPeaks';\nimport { seriesFromArray } from './seriesFromArray';\nimport { filter } from './util/filter';\nimport { getClosestData } from './util/getClosestData';\nimport { getMzVsTimesMatrix } from './util/getMzVsTimesMatrix';\nimport { integrate } from './util/integrate';\n\nexport class Chromatogram {\n  constructor(times, series, options = {}) {\n    this.meta = options.meta || {};\n    this.series = {};\n    this.times = [];\n    if (!isAnyArray(times)) {\n      throw new TypeError('times must be an array');\n    }\n    this.times = times;\n    if (series) {\n      for (const [name, value] of Object.entries(series)) {\n        this.addSeries(name, value);\n      }\n    }\n  }\n\n  get length() {\n    return this.times.length;\n  }\n\n  getSeries(seriesName) {\n    this.requiresSeries(seriesName);\n    return this.series[seriesName];\n  }\n\n  getSeries1D(seriesName) {\n    const series = this.getSeries(seriesName);\n    if (!series.is1D()) {\n      throw new Error(`series ${seriesName} is not a 1D series`);\n    }\n    return series;\n  }\n\n  getSeries2D(seriesName) {\n    const series = this.getSeries(seriesName);\n    if (!series.is2D()) {\n      throw new Error(`series ${seriesName} is not a 2D series`);\n    }\n    return series;\n  }\n\n  getSeriesNames() {\n    return Object.keys(this.series);\n  }\n\n  hasMass() {\n    return this.hasSeries('ms');\n  }\n\n  deleteSeries(seriesName) {\n    this.requiresSeries(seriesName);\n    delete this.series[seriesName];\n    return this;\n  }\n\n  addSeries(seriesName, array, options = {}) {\n    if (this.hasSeries(seriesName) && !options.force) {\n      throw new Error(`A series with name \"${seriesName}\" already exists`);\n    }\n    if (this.times.length !== array.length) {\n      throw new Error(`The series size is not the same as the times size`);\n    }\n    this.series[seriesName] = seriesFromArray(array);\n    this.series[seriesName].name = seriesName;\n    return this;\n  }\n\n  hasSeries(seriesName) {\n    return this.series[seriesName] !== undefined;\n  }\n\n  requiresSeries(seriesName) {\n    if (!this.hasSeries(seriesName)) {\n      throw new Error(`The series \"${seriesName}\" does not exist`);\n    }\n  }\n\n  get firstTime() {\n    return this.times[0];\n  }\n\n  get lastTime() {\n    return this.times[this.length - 1];\n  }\n\n  getTimes() {\n    return this.times;\n  }\n\n  setTimes(times) {\n    if (times.length !== this.times.length) {\n      throw new Error('New times must have the same length as the old ones');\n    }\n    this.times = times;\n  }\n\n  rescaleTime(conversionFunction) {\n    this.times = this.times.map((time) => conversionFunction(time));\n    return this;\n  }\n\n  filter(callback, options) {\n    return filter(this, callback, options);\n  }\n\n  getPeaks(options) {\n    return getPeaks(this, options);\n  }\n\n  calculateTic(options = {}) {\n    if (!this.hasSeries('tic') || options.force) {\n      const tic = calculateTic(this);\n      this.addSeries('tic', tic, { force: true });\n    }\n\n    return this;\n  }\n\n  calculateLength(seriesName, options = {}) {\n    if (!this.hasSeries('length') || options.force) {\n      const length = calculateLength(this, seriesName);\n      this.addSeries('length', length, { force: true });\n    }\n    return this;\n  }\n\n  calculateBpc(options = {}) {\n    if (!this.hasSeries('bpc') || options.force) {\n      const bpc = calculateBpc(this);\n      this.addSeries('bpc', bpc, { force: true });\n    }\n    return this;\n  }\n\n  calculateEic(targetMass, options = {}) {\n    const {\n      seriesName = `ms${targetMass}±${options.slotWidth / 2 || 0.5}`,\n      cache = false,\n    } = options;\n    if (cache && this.hasSeries(seriesName)) return this.getSeries(seriesName);\n    const result = calculateEic(this, targetMass, options);\n    this.addSeries(seriesName, result, options);\n    return this.getSeries(seriesName);\n  }\n\n  async calculateForMF(targetMF, options = {}) {\n    const {\n      seriesName = `${targetMF}(${options.ionizations || 'H+'})±${\n        options.slotWidth / 2 || 0.5\n      }${options.threshold ? `(${options.threshold})` : ''}`,\n      cache = false,\n    } = options;\n    if (cache && this.hasSeries(seriesName)) return this.getSeries(seriesName);\n    const result = await calculateForMF(this, targetMF, options);\n    this.addSeries(seriesName, result, options);\n    return this.getSeries(seriesName);\n  }\n\n  integrate(ranges, options) {\n    return integrate(this, ranges, options);\n  }\n\n  merge(options) {\n    return merge(this, options);\n  }\n\n  getClosestTime(time) {\n    return xFindClosestIndex(this.getTimes(), time);\n  }\n\n  getClosestData(time, options = {}) {\n    return getClosestData(this, time, options);\n  }\n\n  copy() {\n    const json = structuredClone(this);\n    return fromJSON(json);\n  }\n\n  meanFilter(seriesName, options = {}) {\n    const { seriesName: newSeriesName = 'msMean' } = options;\n    if (this.hasSeries(newSeriesName) && !options.force) {\n      throw new Error(`A series with name \"${seriesName}\" already exists`);\n    }\n    const newSeries = meanFilter(this, seriesName, options);\n    this.series[newSeriesName] = newSeries;\n    return newSeries;\n  }\n\n  percentageFilter(seriesName, options = {}) {\n    const { seriesName: newSeriesName = 'msPercentage' } = options;\n    if (this.hasSeries(newSeriesName) && !options.force) {\n      throw new Error(`A series with name \"${seriesName}\" already exists`);\n    }\n    const newSeries = percentageFilter(this, seriesName, options);\n    this.series[newSeriesName] = newSeries;\n    return newSeries;\n  }\n\n  applyLockMass(mfs, options) {\n    return applyLockMass(this, mfs, options);\n  }\n\n  getMzVsTimesMatrix(range = {}) {\n    return getMzVsTimesMatrix(this, range);\n  }\n\n  deconvolution(options = {}) {\n    return deconvolution(this, options);\n  }\n\n  toJSON() {\n    return {\n      times: this.times,\n      series: this.series,\n    };\n  }\n}\n\nexport function fromJSON(json) {\n  const { series, times, meta = {} } = json;\n  let chromatogram = new Chromatogram(times, undefined, { meta });\n\n  if (Array.isArray(series)) {\n    for (let i = 0; i < series.length; i++) {\n      chromatogram.addSeries(series[i].name, series[i].data);\n    }\n  } else {\n    for (let key of Object.keys(series)) {\n      chromatogram.addSeries(key, series[key].data, {\n        meta: series[key].meta,\n      });\n    }\n  }\n  return chromatogram;\n}\n","import { merge } from '../ms/merge';\n\n/**\n * Append MS spectra to a list of peaks\n * @param {Chromatogram} chromatogram\n * @param {Array<object>} peaks - Array of range {from:, to:}\n * @param {object} [options={}] - Options for the integral filtering\n * @param {number} [options.mergeThreshold=0.3] - Peaks that are closer than this value (in Da) will be merged\n * @param {number} [options.seriesName='ms'] - Maximum number of peaks for each mass spectra (when is Number.MAX_VALUE there's no filter)\n * @returns {Array<object>} - A copy of ranges with ms appended\n */\nexport function appendMass(chromatogram, peaks, options = {}) {\n  const { mergeThreshold = 0.3, seriesName = 'ms' } = options;\n  const result = [];\n  // integrate MS\n  for (const peak of peaks) {\n    const massSpectrum = merge(chromatogram, {\n      mergeThreshold,\n      seriesName,\n      range: peak,\n    });\n    result.push({\n      ...peak,\n      ms: massSpectrum,\n    });\n  }\n  return result;\n}\n","export function massFilter(massXYObject, options = {}) {\n  const {\n    thresholdFactor = 0,\n    maxNumberPeaks = Number.MAX_VALUE,\n    groupWidth = 0,\n  } = options;\n\n  let max = -1;\n  let massList = new Array(massXYObject.x.length);\n  for (let i = 0; i < massXYObject.x.length; ++i) {\n    massList[i] = {\n      x: massXYObject.x[i],\n      y: massXYObject.y[i],\n    };\n\n    if (massXYObject.y[i] > max) {\n      max = massXYObject.y[i];\n    }\n  }\n\n  // filters based in thresholdFactor\n  max *= thresholdFactor;\n  let filteredList = massList.filter((val) => val.y > max);\n\n  // filters based in maxNumberPeaks\n  if (filteredList.length > maxNumberPeaks || groupWidth !== 0) {\n    filteredList.sort((a, b) => b.y - a.y);\n\n    // filters based in groupWidth\n    filteredList = moreDistinct(filteredList, maxNumberPeaks, groupWidth);\n\n    filteredList.sort((a, b) => a.x - b.x);\n  }\n\n  let ans = {\n    x: new Array(filteredList.length),\n    y: new Array(filteredList.length),\n  };\n  for (let i = 0; i < filteredList.length; ++i) {\n    ans.x[i] = filteredList[i].x;\n    ans.y[i] = filteredList[i].y;\n  }\n\n  return ans;\n}\n\n/**\n * Filters based in groupWidth\n * @ignore\n * @param {Array<object>} list - Sorted list of XY-objects to be filtered\n * @param {number} maxNumberPeaks - Maximum number of peaks for each mass spectra\n * @param {number} groupWidth - When find a max can't be another max in a radius of this size\n * @returns {Array<object>} - List of XY-objects filtered\n */\nexport function moreDistinct(list, maxNumberPeaks, groupWidth) {\n  let len = 0;\n  if (maxNumberPeaks > list.length) {\n    maxNumberPeaks = list.length;\n  }\n  let filteredList = new Array(maxNumberPeaks);\n\n  for (let i = 0; i < list.length && len < maxNumberPeaks; ++i) {\n    let outRange = true;\n    for (let j = 0; j < len && outRange; ++j) {\n      outRange =\n        outRange &&\n        !(\n          list[i].x > filteredList[j].x - groupWidth &&\n          list[i].x < filteredList[j].x + groupWidth\n        );\n    }\n    if (outRange) {\n      filteredList[len++] = list[i];\n    }\n  }\n  filteredList.length = len;\n\n  return filteredList;\n}\n","import { massFilter } from './massFilter';\n\nexport function vectorify(ranges, options = {}) {\n  const { massPower = 3, intPower = 0.6 } = options;\n  let filter =\n    options.thresholdFactor || options.maxNumberPeaks || options.groupWidth;\n\n  let vector = new Array(ranges.length);\n  if (filter) {\n    const filterOptions = {\n      thresholdFactor: options.thresholdFactor,\n      maxNumberPeaks: options.maxNumberPeaks,\n      groupWidth: options.groupWidth,\n    };\n\n    for (let i = 0; i < ranges.length; ++i) {\n      let len = ranges[i].ms.x.length;\n      vector[i] = {\n        x: ranges[i].ms.x,\n        y: new Array(len),\n      };\n      for (let j = 0; j < len; ++j) {\n        vector[i].y[j] =\n          ranges[i].ms.x[j] ** massPower * ranges[i].ms.y[j] ** intPower;\n      }\n\n      vector[i] = massFilter(vector[i], filterOptions);\n    }\n  } else {\n    for (let i = 0; i < ranges.length; ++i) {\n      let len = ranges[i].ms.x.length;\n      vector[i] = {\n        x: ranges[i].ms.x,\n        y: new Array(len),\n      };\n      for (let j = 0; j < len; ++j) {\n        vector[i].y[j] =\n          ranges[i].ms.x[j] ** massPower * ranges[i].ms.y[j] ** intPower;\n      }\n    }\n  }\n\n  return vector;\n}\n","export function cosineSimilarity(ms1x, ms1y, ms2x, ms2y) {\n  let index1 = 0;\n  let index2 = 0;\n\n  let product = 0;\n  let norm1 = 0;\n  let norm2 = 0;\n\n  while (index1 < ms1x.length || index2 < ms2x.length) {\n    let w1 = ms1y[index1];\n    let w2 = ms2y[index2];\n    if (index2 === ms2x.length || ms1x[index1] < ms2x[index2]) {\n      norm1 += w1 * w1;\n      ++index1;\n    } else if (index1 === ms1x.length || ms2x[index2] < ms1x[index1]) {\n      norm2 += w2 * w2;\n      ++index2;\n    } else {\n      product += w1 * w2;\n      norm1 += w1 * w1;\n      norm2 += w2 * w2;\n      ++index1;\n      ++index2;\n    }\n  }\n\n  let norm1Norm2 = norm1 * norm2;\n  if (norm1Norm2 === 0) {\n    return 0;\n  } else {\n    return (product * product) / norm1Norm2;\n  }\n}\n","import { cosineSimilarity } from './ms/cosineSimilarity';\nimport { appendMass } from './peaks/appendMass';\nimport { getPeaks } from './peaks/getPeaks';\nimport { vectorify } from './vectorify';\n\n/**\n * Preprocessing task over the signalsj\n * @ignore\n * @param {Chromatogram} chromatogram - Chromatogram to process\n * @param {object} [options] - Options object (same as spectraComparison)\n * @returns {{peaks: Array<object>, integratedMs: Array<object>, vector: Array<object>}} - Array of peaks, integrated mass spectra and weighted mass spectra\n */\nfunction preprocessing(chromatogram, options) {\n  // peak picking\n  let peaks = getPeaks(chromatogram, options);\n  peaks = peaks.sort((a, b) => a.from - b.to);\n\n  // integrate mass in the peaks\n  let integratedMs = appendMass(chromatogram, peaks, options);\n  let vector = vectorify(integratedMs, options);\n  return {\n    peaks,\n    integratedMs,\n    vector,\n  };\n}\n\nconst defaultOptions = {\n  thresholdFactor: 0,\n  maxNumberPeaks: Number.MAX_VALUE,\n  groupWidth: 0,\n  heightFilter: 2,\n  massPower: 3,\n  intPower: 0.6,\n  similarityThreshold: 0.7,\n};\n\nexport function spectraComparison(chrom1, chrom2, options = {}) {\n  options = { ...defaultOptions, ...options };\n\n  // peak picking\n  let reference = preprocessing(chrom1, options);\n  let sample = preprocessing(chrom2, options);\n\n  // similarity between MS\n  const len = Math.max(sample.peaks.length, reference.peaks.length);\n  let similarityPeaks = {\n    chrom1: new Array(len),\n    chrom2: new Array(len),\n    similarity: new Array(len),\n  };\n  let similarLen = 0;\n\n  // Similarity matrix\n  for (let i = 0; i < sample.peaks.length; ++i) {\n    let max = { similarity: -3 };\n    let biggerCounter = 0;\n    for (let j = 0; j < reference.peaks.length; ++j) {\n      let sim = cosineSimilarity(\n        sample.vector[i].x,\n        sample.vector[i].y,\n        reference.vector[j].x,\n        reference.vector[j].y,\n      );\n\n      if (sim > options.similarityThreshold && sim > max.similarity) {\n        max = {\n          similarity: sim,\n          chrom1: reference.peaks[j],\n          chrom2: sample.peaks[i],\n        };\n      }\n      if (sim > options.similarityThreshold) {\n        ++biggerCounter;\n      }\n    }\n    if (biggerCounter === 1) {\n      similarityPeaks.chrom1[similarLen] = max.chrom1;\n      similarityPeaks.chrom2[similarLen] = max.chrom2;\n      similarityPeaks.similarity[similarLen++] = max.similarity;\n    }\n  }\n\n  similarityPeaks.chrom1.length = similarLen;\n  similarityPeaks.chrom2.length = similarLen;\n\n  let duplicates = {};\n  for (let i = 0; i < similarLen; ++i) {\n    if (duplicates[similarityPeaks.chrom1[i].retentionTime]) {\n      duplicates[similarityPeaks.chrom1[i].retentionTime].push(i);\n    } else {\n      duplicates[similarityPeaks.chrom1[i].retentionTime] = [i];\n    }\n  }\n\n  let peaksChrom1 = [];\n  let peaksChrom2 = [];\n  let peaksSimilarity = [];\n  for (let val in duplicates) {\n    if (duplicates[val].length === 1) {\n      peaksChrom1.push(similarityPeaks.chrom1[duplicates[val][0]]);\n      peaksChrom2.push(similarityPeaks.chrom2[duplicates[val][0]]);\n      peaksSimilarity.push(similarityPeaks.similarity[duplicates[val][0]]);\n    }\n  }\n\n  return {\n    peaksFirst: peaksChrom1,\n    peaksSecond: peaksChrom2,\n    peaksSimilarity,\n  };\n}\n","import { isAnyArray } from 'is-any-array';\n/**\n * Check that x and y are arrays with the same length.\n * @param x - first array\n * @param y - second array\n * @throws if x or y are not the same length, or if they are not arrays\n */\nexport function checkArrayLength(x, y) {\n    if (!isAnyArray(x) || !isAnyArray(y)) {\n        throw new TypeError('x and y must be arrays');\n    }\n    if (x.length !== y.length) {\n        throw new RangeError('x and y arrays must have the same length');\n    }\n}\n//# sourceMappingURL=checkArrayLength.js.map","import { isAnyArray } from 'is-any-array';\nimport { checkArrayLength } from './checkArrayLength';\nexport class BaseRegression {\n    constructor() {\n        if (new.target === BaseRegression) {\n            throw new Error('BaseRegression must be subclassed');\n        }\n    }\n    predict(x) {\n        if (typeof x === 'number') {\n            return this._predict(x);\n        }\n        else if (isAnyArray(x)) {\n            const y = [];\n            for (const xVal of x) {\n                y.push(this._predict(xVal));\n            }\n            return y;\n        }\n        else {\n            throw new TypeError('x must be a number or array');\n        }\n    }\n    // eslint-disable-next-line @typescript-eslint/no-unused-vars\n    _predict(x) {\n        throw new Error('_predict must be implemented');\n    }\n    train() {\n        // Do nothing for this package\n    }\n    // eslint-disable-next-line @typescript-eslint/no-unused-vars\n    toString(precision) {\n        return '';\n    }\n    // eslint-disable-next-line @typescript-eslint/no-unused-vars\n    toLaTeX(precision) {\n        return '';\n    }\n    /**\n     * Return the correlation coefficient of determination (r) and chi-square.\n     * @param x - explanatory variable\n     * @param y - response variable\n     * @return - Object with further statistics.\n     */\n    score(x, y) {\n        checkArrayLength(x, y);\n        const n = x.length;\n        const y2 = new Array(n);\n        for (let i = 0; i < n; i++) {\n            y2[i] = this._predict(x[i]);\n        }\n        let xSum = 0;\n        let ySum = 0;\n        let chi2 = 0;\n        let rmsd = 0;\n        let xSquared = 0;\n        let ySquared = 0;\n        let xY = 0;\n        for (let i = 0; i < n; i++) {\n            xSum += y2[i];\n            ySum += y[i];\n            xSquared += y2[i] * y2[i];\n            ySquared += y[i] * y[i];\n            xY += y2[i] * y[i];\n            if (y[i] !== 0) {\n                chi2 += ((y[i] - y2[i]) * (y[i] - y2[i])) / y[i];\n            }\n            rmsd += (y[i] - y2[i]) * (y[i] - y2[i]);\n        }\n        const r = (n * xY - xSum * ySum) /\n            Math.sqrt((n * xSquared - xSum * xSum) * (n * ySquared - ySum * ySum));\n        return {\n            r,\n            r2: r * r,\n            chi2,\n            rmsd: Math.sqrt(rmsd / n),\n        };\n    }\n}\n//# sourceMappingURL=BaseRegression.js.map","/**\n * Cast `number` to string. Optionally `digits` specifies significant figures.\n * @param number\n * @param figures\n * @returns - A string representation of `number`.\n */\nexport function maybeToPrecision(number, figures) {\n    if (number < 0) {\n        number = 0 - number;\n        if (typeof figures === 'number') {\n            return `- ${number.toPrecision(figures)}`;\n        }\n        else {\n            return `- ${number.toString()}`;\n        }\n    }\n    else if (typeof figures === 'number') {\n        return number.toPrecision(figures);\n    }\n    else {\n        return number.toString();\n    }\n}\n//# sourceMappingURL=maybeToPrecision.js.map","import { Matrix, MatrixTransposeView, solve } from 'ml-matrix';\nimport { BaseRegression, checkArrayLength, maybeToPrecision, } from 'ml-regression-base';\nexport class PolynomialRegression extends BaseRegression {\n    /**\n     * @param x - independent or explanatory variable\n     * @param y - dependent or response variable\n     * @param degree - degree of the polynomial regression, or array of powers to be used. When degree is an array, intercept at zero is forced to false/ignored.\n     * @example `new PolynomialRegression(x, y, 2)`, in this case, you can pass the option `interceptAtZero`, if you need it.\n     * @example `new PolynomialRegression(x, y, [1, 3, 5])`\n     * Each of the degrees corresponds to a column, so if you have them switched, just do:\n     * @example `new PolynomialRegression(x, y, [3, 1, 5])`\n     *\n     * @param options.interceptAtZero - force the polynomial regression so that f(0) = 0\n     */\n    constructor(x, y, degree, options = {}) {\n        super();\n        // @ts-expect-error internal use only\n        if (x === true) {\n            // @ts-expect-error internal use only\n            this.degree = y.degree;\n            // @ts-expect-error internal use only\n            this.powers = y.powers;\n            // @ts-expect-error internal use only\n            this.coefficients = y.coefficients;\n        }\n        else {\n            checkArrayLength(x, y);\n            const result = regress(x, y, degree, options);\n            this.degree = result.degree;\n            this.powers = result.powers;\n            this.coefficients = result.coefficients;\n        }\n    }\n    _predict(x) {\n        let y = 0;\n        for (let k = 0; k < this.powers.length; k++) {\n            y += this.coefficients[k] * x ** this.powers[k];\n        }\n        return y;\n    }\n    toJSON() {\n        return {\n            name: 'polynomialRegression',\n            degree: this.degree,\n            powers: this.powers,\n            coefficients: this.coefficients,\n        };\n    }\n    toString(precision) {\n        return this._toFormula(precision, false);\n    }\n    toLaTeX(precision) {\n        return this._toFormula(precision, true);\n    }\n    _toFormula(precision, isLaTeX) {\n        let sup = '^';\n        let closeSup = '';\n        let times = ' * ';\n        if (isLaTeX) {\n            sup = '^{';\n            closeSup = '}';\n            times = '';\n        }\n        let fn = '';\n        let str = '';\n        for (let k = 0; k < this.coefficients.length; k++) {\n            str = '';\n            if (this.coefficients[k] !== 0) {\n                if (this.powers[k] === 0) {\n                    str = maybeToPrecision(this.coefficients[k], precision);\n                }\n                else if (this.powers[k] === 1) {\n                    str = `${maybeToPrecision(this.coefficients[k], precision) + times}x`;\n                }\n                else {\n                    str = `${maybeToPrecision(this.coefficients[k], precision) + times}x${sup}${this.powers[k]}${closeSup}`;\n                }\n                if (this.coefficients[k] > 0 && k !== this.coefficients.length - 1) {\n                    str = ` + ${str}`;\n                }\n                else if (k !== this.coefficients.length - 1) {\n                    str = ` ${str}`;\n                }\n            }\n            fn = str + fn;\n        }\n        if (fn.startsWith('+')) {\n            fn = fn.slice(1);\n        }\n        return `f(x) = ${fn}`;\n    }\n    static load(json) {\n        if (json.name !== 'polynomialRegression') {\n            throw new TypeError('not a polynomial regression model');\n        }\n        // @ts-expect-error internal use only\n        return new PolynomialRegression(true, json);\n    }\n}\n/**\n * Perform a polynomial regression on the given data set.\n * This is an internal function.\n * @param x - independent or explanatory variable\n * @param y - dependent or response variable\n * @param degree - degree of the polynomial regression\n * @param options.interceptAtZero - force the polynomial regression so that $f(0) = 0$\n */\nfunction regress(x, y, degree, options = {}) {\n    const n = x.length;\n    let { interceptAtZero = false } = options;\n    let powers = [];\n    if (Array.isArray(degree)) {\n        powers = degree;\n        interceptAtZero = false; //must be false in this case\n    }\n    else if (typeof degree === 'number') {\n        if (interceptAtZero) {\n            powers = new Array(degree);\n            for (let k = 0; k < degree; k++) {\n                powers[k] = k + 1;\n            }\n        }\n        else {\n            powers = new Array(degree + 1);\n            for (let k = 0; k <= degree; k++) {\n                powers[k] = k;\n            }\n        }\n    }\n    const nCoefficients = powers.length; //1 per power, in any case.\n    const F = new Matrix(n, nCoefficients);\n    const Y = new Matrix([y]);\n    for (let k = 0; k < nCoefficients; k++) {\n        for (let i = 0; i < n; i++) {\n            if (powers[k] === 0) {\n                F.set(i, k, 1);\n            }\n            else {\n                F.set(i, k, x[i] ** powers[k]);\n            }\n        }\n    }\n    const FT = new MatrixTransposeView(F);\n    const A = FT.mmul(F);\n    const B = FT.mmul(new MatrixTransposeView(Y));\n    return {\n        coefficients: solve(A, B).to1DArray(),\n        degree: Math.max(...powers),\n        powers,\n    };\n}\n//# sourceMappingURL=index.js.map","import { PolynomialRegression } from 'ml-regression-polynomial';\n\nexport function scaleAlignment(reference, sample, options = {}) {\n  const { computeQuality = false, polynomialDegree = 3 } = options;\n  let referenceTime = reference.map((val) => val.retentionTime);\n  let sampleTime = sample.map((val) => val.retentionTime);\n\n  const regression = new PolynomialRegression(\n    sampleTime,\n    referenceTime,\n    polynomialDegree,\n  );\n\n  let error = new Array(sample.length);\n  for (let i = 0; i < sample.length; i++) {\n    error[i] =\n      reference[i].retentionTime - regression.predict(sample[i].retentionTime);\n  }\n\n  let ans = {\n    scaleRegression: regression,\n  };\n\n  if (computeQuality) {\n    let score = regression.score(sampleTime, referenceTime);\n    ans.r2 = score.r2;\n    ans.error = error;\n  }\n  return ans;\n}\n","import max from 'ml-array-max';\n\n/**\n * @typedef KovatsReturn\n * @type {object}\n * @property {number} index - Kovats retention index\n * @property {number} numberFragments - Number of fragments\n * @property {number} percentFragments - Percentage of fragments\n */\n\n/**\n * Calculates the Kovats retention index for a mass spectra of a n-alkane\n * @param {object} ms - A mass spectra object\n * @param {Array<number>} ms.x - Array of masses\n * @param {Array<number>} ms.y - Array of intensities\n * @param options\n * @returns {KovatsReturn} - Kovats retention index\n */\nexport function kovats(ms, options = {}) {\n  const { threshold = 0.01 } = options;\n  // we normalize the data and filter them\n  let maxY = max(ms.y);\n  let masses = [];\n  let intensities = [];\n  for (let i = 0; i < ms.x.length; i++) {\n    if (ms.y[i] / maxY > threshold) {\n      masses.push(ms.x[i]);\n      intensities.push(ms.y[i] / maxY);\n    }\n  }\n\n  // we find candidates\n  let nbAlcaneMasses = [];\n  let fragmentMasses = [];\n\n  for (let i = 0; i < masses.length; i++) {\n    if ((masses[i] - 2) % 14 === 0) {\n      nbAlcaneMasses.push(masses[i]);\n    }\n    if ((masses[i] - 1) % 14 === 0) {\n      fragmentMasses.push(masses[i]);\n    }\n  }\n\n  if (nbAlcaneMasses.length === 0) return {};\n\n  let biggestMass = nbAlcaneMasses.sort((a, b) => b - a)[0];\n  fragmentMasses = fragmentMasses.filter((mass) => mass < biggestMass);\n\n  return {\n    index: (100 * (biggestMass - 2)) / 14,\n    numberFragments: fragmentMasses.length,\n    percentFragments: fragmentMasses.length / ((biggestMass - 2) / 14),\n  };\n}\n","import { kovats } from '../kovats';\n\nexport function appendKovats(peaks) {\n  const result = [];\n  for (let peak of peaks) {\n    result.push({ ...peak, kovats: kovats(peak.ms) });\n  }\n  return result;\n}\n","module.exports = function(haystack, needle, comparator, low, high) {\n  var mid, cmp;\n\n  if(low === undefined)\n    low = 0;\n\n  else {\n    low = low|0;\n    if(low < 0 || low >= haystack.length)\n      throw new RangeError(\"invalid lower bound\");\n  }\n\n  if(high === undefined)\n    high = haystack.length - 1;\n\n  else {\n    high = high|0;\n    if(high < low || high >= haystack.length)\n      throw new RangeError(\"invalid upper bound\");\n  }\n\n  while(low <= high) {\n    // The naive `low + high >>> 1` could fail for array lengths > 2**31\n    // because `>>>` converts its operands to int32. `low + (high - low >>> 1)`\n    // works for array lengths <= 2**32-1 which is also Javascript's max array\n    // length.\n    mid = low + ((high - low) >>> 1);\n    cmp = +comparator(haystack[mid], needle, mid, haystack);\n\n    // Too low.\n    if(cmp < 0.0)\n      low  = mid + 1;\n\n    // Too high.\n    else if(cmp > 0.0)\n      high = mid - 1;\n\n    // Key found.\n    else\n      return mid;\n  }\n\n  // Key not found.\n  return ~low;\n}\n","import binarySearch from 'binary-search';\n\nconst ascValue = (a, b) => a.index - b.index;\nconst ascTime = (a, b) => a.time - b.time;\n\nexport function getKovatsConversionFunction(peaks, options = {}) {\n  const { revert = false } = options;\n\n  const kovatsConversionTable = peaks.map((peak) => ({\n    time: peak.x,\n    index: peak.kovats.index,\n  }));\n\n  if (revert) {\n    const indexes = kovatsConversionTable.sort(ascValue);\n\n    return (index) => {\n      let position = binarySearch(indexes, { index }, ascValue);\n\n      if (position < 0) {\n        position = ~position;\n\n        // handle extreme cases\n        if (position === 0 || position === indexes.length) {\n          return 0;\n        }\n\n        let smallerAlcane = indexes[position - 1].time;\n        let largerAlcane = indexes[position].time;\n        return (\n          ((index - indexes[position - 1].index) *\n            (largerAlcane - smallerAlcane)) /\n            100 +\n          smallerAlcane\n        );\n      } else {\n        return indexes[position].time;\n      }\n    };\n  } else {\n    const times = kovatsConversionTable.sort(ascTime);\n\n    return (time) => {\n      let position = binarySearch(times, { time }, ascTime);\n      if (position < 0) {\n        position = ~position;\n\n        // handle extreme cases\n        if (position === 0 || position === times.length) {\n          return 0;\n        }\n\n        let smallerAlcane = times[position - 1].time;\n        let largerAlcane = times[position].time;\n        return (\n          (100 * (time - smallerAlcane)) / (largerAlcane - smallerAlcane) +\n          times[position - 1].index\n        );\n      } else {\n        return times[position].index;\n      }\n    };\n  }\n}\n","/*\n    https://tools.ietf.org/html/rfc3629\n\n    UTF8-char = UTF8-1 / UTF8-2 / UTF8-3 / UTF8-4\n\n    UTF8-1    = %x00-7F\n\n    UTF8-2    = %xC2-DF UTF8-tail\n\n    UTF8-3    = %xE0 %xA0-BF UTF8-tail\n                %xE1-EC 2( UTF8-tail )\n                %xED %x80-9F UTF8-tail\n                %xEE-EF 2( UTF8-tail )\n\n    UTF8-4    = %xF0 %x90-BF 2( UTF8-tail )\n                %xF1-F3 3( UTF8-tail )\n                %xF4 %x80-8F 2( UTF8-tail )\n\n    UTF8-tail = %x80-BF\n*/\n/**\n * Check if a Node.js Buffer or Uint8Array is UTF-8.\n */\nfunction isUtf8(buf) {\n    if (!buf) {\n        return false;\n    }\n    var i = 0;\n    var len = buf.length;\n    while (i < len) {\n        // UTF8-1 = %x00-7F\n        if (buf[i] <= 0x7F) {\n            i++;\n            continue;\n        }\n        // UTF8-2 = %xC2-DF UTF8-tail\n        if (buf[i] >= 0xC2 && buf[i] <= 0xDF) {\n            // if(buf[i + 1] >= 0x80 && buf[i + 1] <= 0xBF) {\n            if (buf[i + 1] >> 6 === 2) {\n                i += 2;\n                continue;\n            }\n            else {\n                return false;\n            }\n        }\n        // UTF8-3 = %xE0 %xA0-BF UTF8-tail\n        // UTF8-3 = %xED %x80-9F UTF8-tail\n        if (((buf[i] === 0xE0 && buf[i + 1] >= 0xA0 && buf[i + 1] <= 0xBF) ||\n            (buf[i] === 0xED && buf[i + 1] >= 0x80 && buf[i + 1] <= 0x9F)) && buf[i + 2] >> 6 === 2) {\n            i += 3;\n            continue;\n        }\n        // UTF8-3 = %xE1-EC 2( UTF8-tail )\n        // UTF8-3 = %xEE-EF 2( UTF8-tail )\n        if (((buf[i] >= 0xE1 && buf[i] <= 0xEC) ||\n            (buf[i] >= 0xEE && buf[i] <= 0xEF)) &&\n            buf[i + 1] >> 6 === 2 &&\n            buf[i + 2] >> 6 === 2) {\n            i += 3;\n            continue;\n        }\n        // UTF8-4 = %xF0 %x90-BF 2( UTF8-tail )\n        //          %xF1-F3 3( UTF8-tail )\n        //          %xF4 %x80-8F 2( UTF8-tail )\n        if (((buf[i] === 0xF0 && buf[i + 1] >= 0x90 && buf[i + 1] <= 0xBF) ||\n            (buf[i] >= 0xF1 && buf[i] <= 0xF3 && buf[i + 1] >> 6 === 2) ||\n            (buf[i] === 0xF4 && buf[i + 1] >= 0x80 && buf[i + 1] <= 0x8F)) &&\n            buf[i + 2] >> 6 === 2 &&\n            buf[i + 3] >> 6 === 2) {\n            i += 4;\n            continue;\n        }\n        return false;\n    }\n    return true;\n}\n\nexport { isUtf8 as default };\n","import isutf8 from 'isutf8';\n/**\n * Ensure that the data is string. If it is an ArrayBuffer it will be converted to string using TextDecoder.\n * @param blob\n * @param options\n * @returns\n */\nexport function ensureString(blob, options = {}) {\n    if (typeof blob === 'string') {\n        return blob;\n    }\n    if (ArrayBuffer.isView(blob) || blob instanceof ArrayBuffer) {\n        const { encoding = guessEncoding(blob) } = options;\n        const decoder = new TextDecoder(encoding);\n        return decoder.decode(blob);\n    }\n    throw new TypeError(`blob must be a string, ArrayBuffer or ArrayBufferView`);\n}\nfunction guessEncoding(blob) {\n    const uint8 = ArrayBuffer.isView(blob)\n        ? new Uint8Array(blob.buffer, blob.byteOffset, blob.byteLength)\n        : new Uint8Array(blob);\n    if (uint8.length >= 2) {\n        if (uint8[0] === 0xfe && uint8[1] === 0xff) {\n            return 'utf-16be';\n        }\n        if (uint8[0] === 0xff && uint8[1] === 0xfe) {\n            return 'utf-16le';\n        }\n    }\n    //@ts-expect-error an ArrayBuffer is also ok\n    if (!isutf8(blob))\n        return 'latin1';\n    return 'utf-8';\n}\n//# sourceMappingURL=index.js.map","export function parseString(value) {\n    if (value.length === 4 || value.length === 5) {\n        const lowercase = value.toLowerCase();\n        if (lowercase === 'true')\n            return true;\n        if (lowercase === 'false')\n            return false;\n    }\n    const number = Number(value);\n    if (number === 0 && !value.includes('0')) {\n        return value;\n    }\n    if (!Number.isNaN(number))\n        return number;\n    return value;\n}\n//# sourceMappingURL=parseString.js.map","export const gyromagneticRatio = {\n    '1H': 267.52218744e6,\n    '2H': 41.065e6,\n    '3H': 285.3508e6,\n    '3He': -203.789e6,\n    '7Li': 103.962e6,\n    '13C': 67.28284e6,\n    '14N': 19.331e6,\n    '15N': -27.116e6,\n    '17O': -36.264e6,\n    '19F': 251.662e6,\n    '23Na': 70.761e6,\n    '27Al': 69.763e6,\n    '29Si': -53.19e6,\n    '31P': 108.291e6,\n    '57Fe': 8.681e6,\n    '63Cu': 71.118e6,\n    '67Zn': 16.767e6,\n    '129Xe': -73.997e6,\n    '195Pt': 58.385e6,\n    '199Hg': 48.457916e6,\n    '187Os': 6.192895e6,\n    '183W': 11.282403e6,\n    '125Te': -85.108404e6,\n    '123Te': -70.59098e6,\n    '119Sn': -100.317e6,\n    '117Sn': -95.8879e6,\n    '115Sn': -88.013e6,\n    '113Cd': -59.609155e6,\n    '111Cd': -56.983131e6,\n    '109Ag': -12.518634e6,\n    '77Se': 51.253857e6,\n    '89Y': -13.162791e6,\n    '103Rh': -8.468e6,\n    '107Ag': -10.889181e6,\n    '203Tl': 155.393338e6,\n    '205Tl': 156.921808e6,\n    '207Pb': 55.8046e6,\n};\nexport function getGyromagneticRatio(nucleus) {\n    if (gyromagneticRatio[nucleus]) {\n        return gyromagneticRatio[nucleus];\n    }\n    nucleus = nucleus.toLowerCase();\n    if (nucleus === 'proton')\n        return gyromagneticRatio['1H'];\n    // we try to use only the numbers\n    const nucleusNumber = nucleus.replace(/[^0-9]/g, '');\n    if (!nucleusNumber)\n        return null;\n    for (const key in gyromagneticRatio) {\n        if (key.replace(/[^0-9]/g, '') === nucleusNumber) {\n            return gyromagneticRatio[key];\n        }\n    }\n    return null;\n}\n//# sourceMappingURL=index.js.map","import { isAnyArray } from 'is-any-array';\nimport quickSelectMedian from 'median-quickselect';\n\nfunction median(input) {\n  if (!isAnyArray(input)) {\n    throw new TypeError('input must be an array');\n  }\n\n  if (input.length === 0) {\n    throw new TypeError('input must not be empty');\n  }\n\n  return quickSelectMedian(input.slice());\n}\n\nexport { median as default };\n","import{ensureString as fe}from\"ensure-string\";var $=/\\s*\\$\\$.*/;function O(e){return e.replace($,\"\")}function me(e,m={}){e=fe(e);let{flatten:n=!1}=m,o=e.split(/\\r?\\n/),f=[],i=[],t=[],l={title:\"\",jcamp:\"\",children:[]},r=0,p=e.includes(\"## \");for(let u=0;u<o.length;u++){let b=o[u],h=p?b.replaceAll(\" \",\"\"):b;if(h.startsWith(\"##NTUPLES\")&&r++,h.startsWith(\"##TITLE\")){let s=[h.slice(8).trim()];for(let a=u+1;a<o.length&&!o[a].startsWith(\"##\");a++)s.push(o[a].trim());i.push({title:s.join(`\n`),jcamp:`${b}\n`,children:[]}),l=i.at(-1),f.push(l)}else if(h.startsWith(\"##END\")&&r===0&&l){l.jcamp+=`${b}\n`;let s=i.pop();if(!s)throw new Error(\"Not finished\");i.length>0?(l=i.at(-1),l.children?.push(s)):(l=void 0,t.push(s))}else if(l?.jcamp){l.jcamp+=`${b}\n`;let s=h.match(/^##(.*?)=(.+)/);if(s){let a=s[1].replaceAll(/[ _-]/g,\"\").toUpperCase();a===\"DATATYPE\"?l.dataType=s[2].trim():a===\"DATACLASS\"?l.dataClass=s[2].trim():a===\"JCAMPDX\"?l.jcampDX=O(s[2].trim()):a===\"JCAMPCS\"&&(l.jcampCS=O(s[2].trim()))}}h.startsWith(\"##END\")&&r>0&&r--}if(n){for(let u of f)u.children=void 0;return f}else return t}import{parseString as be}from\"dynamic-typing\";import{ensureString as ge}from\"ensure-string\";var ee=[\"TIC\",\".RIC\",\"SCANNUMBER\"];function te(e){let m=e.spectra,n=m.length,o={times:new Array(n),series:{ms:{dimension:2,data:new Array(n)}}},f=[];for(let i of ee){let t=k(i);m[0][t]&&(f.push(t),o.series[t]={dimension:1,data:new Array(n)})}for(let i=0;i<n;i++){let t=m[i];o.times[i]=t.pageValue;for(let l of f)o.series[l].data[i]=Number(t[l]);t.data&&(o.series.ms.data[i]=[t.data.x,t.data.y])}e.chromatogram=o}function ne(e){return ee.includes(e)}function k(e){return e.toLowerCase().replaceAll(/[^a-z0-9]/g,\"\")}function E(e){return e.map(Number)}function V(e,m,n){let{logger:o}=n;o&&(e.xFactor||o.info(\"The xFactor is not defined, it will be set to 1\"),e.yFactor||o.info(\"The yFactor is not defined, it will be set to 1\"));let f=e.yFactor??1,i=e.xFactor??1,t=e.deltaX??1,l=Math.abs(t*.1),r=.01;e.isXYdata=!0;let p={x:[],y:[]};e.data=p;let u=e.firstX||0,b=e.firstY||0,h=!1,s,a=0;for(;a<m.length;a++)if(s=m.codePointAt(a),s===13||s===10)h=!0;else if(h)break;let c=0,d=!0,A=!1,y=!1,I=0,S=!1,N=!1,g=0,X=0,M=!1,C=!1,Y=!1,R=0;for(;a<=m.length;a++)if(a===m.length?s=13:s=m.codePointAt(a),N)(s===13||s===10)&&(d=!0,N=!1,c++);else if(s<=57&&s>=48)C=!0,R>0?g+=(s-48)/10**R++:(g*=10,g+=s-48);else if(s===44||s===46)C=!0,R++;else{if(C){if(M&&(g=g*-1,M=!1),d)g*=i,o&&(y?Math.abs(u-t-g)>l&&(Math.abs(u-g)<l?o.trace(`Data line ${c}: After a DIFFERENCE the next line should repeat the last value and this does not seem to be the case: Current value: ${g} - Expected: ${u}.`):Math.abs(u-t-g)>10*l?o.trace(`Data line ${c}: The difference between the first value ${g} and the expected first x value ${u} based on increment after a DIFFERENCE is too high`):o.trace(`Data line ${c}: The difference between the first value ${g} and the expected first x value ${u} based on increment after a DIFFERENCE is too high`)):Math.abs(u-g)>l&&o.trace(`Data line ${c}: The difference between the first value ${g} and the first x value ${u} is too high`)),d=!1,y&&(Y=!0);else if(Y)Y=!1,o&&Math.abs(b-g)>r&&o.trace(`Data line ${c}: After a duplicate the next line should repeat the same value ${g} !== ${b}`),b=g;else{A?(I=M?0-g:g,y=!0,A=!1):S||(X=M?0-g:g);let x=S?g-1:1;for(let F=0;F<x;F++)y?b+=I:b=X,p.x.push(u),p.y.push(b*f),u+=t}M=!1,g=0,R=0,C=!1,S=!1}if(s<74&&s>63)C=!0,y=!1,g=s-64;else if(s>96&&s<106)C=!0,y=!1,g=s-96,M=!0;else if(s===115)C=!0,S=!0,g=9;else if(s>82&&s<91)C=!0,S=!0,g=s-82;else if(s>73&&s<83)C=!0,A=!0,g=s-73;else if(s>105&&s<115)C=!0,A=!0,g=s-105,M=!0;else if(s===36&&m.codePointAt(a+1)===36)C=!0,N=!0;else if(s===37)C=!0,A=!0,g=0,M=!1;else if(s===45){let x=m.codePointAt(a+1);(x!==void 0&&x>=48&&x<=57||x===44||x===46)&&(C=!0,d||(y=!1),M=!0)}else(s===13||s===10)&&(d=!0,N=!1,c++)}o&&y&&o.warn(\"The last value is a difference, it should be repeated on the next line\")}var re=/[,\\t ]+/;function P(e,m,n){if(e.isPeaktable=!0,!e.variables||Object.keys(e.variables).length===2?ue(e,m,n):ce(e,m,n),e.variables)for(let o in e.variables)e.variables[o].data=e.data?.[o]}function ue(e,m,n){let{logger:o}=n,f={x:[],y:[]};e.data=f;let i=m.split(/,? *,?[;\\r\\n]+ */);for(let t=1;t<i.length;t++){let l=i[t].trim().replace($,\"\").split(re);if(l.length%2===0)for(let r=0;r<l.length;r=r+2)e.xFactor!==void 0&&e.yFactor!==void 0&&(f.x.push(Number(l[r])*e.xFactor),f.y.push(Number(l[r+1])*e.yFactor));else o?.warn(`Format error: ${l.toString()}`)}}function ce(e,m,n){let{logger:o}=n,f={},i=Object.keys(e.variables),t=i.length;for(let r of i)f[r]=[];e.data=f;let l=m.split(/,? *,?[;\\r\\n]+ */);for(let r=1;r<l.length;r++){let p=l[r].trim().replace($,\"\").split(re);if(p.length%t===0)for(let u=0;u<p.length;u++)f[i[u%t]].push(Number(p[u]));else o?.warn(`Wrong number of columns: ${p.toString()}`)}}function B(e,m){e.isXYAdata=!0;let n={};e.data=n;let o=m.split(/\\r?\\n/),f=o[0].replace(/^.*?([A-Z]+).*$/,\"$1\").split(\"\").map(i=>i.toLowerCase());for(let i=1;i<o.length;i++){let t=o[i].replace(/^\\((.*)\\)$/,\"$1\").split(/ *, */);for(let l=0;l<f.length;l++){let r=t[l];switch(f[l]){case\"x\":case\"y\":case\"w\":r=Number.parseFloat(r);break;case\"a\":r=r.replace(/^<(.*)>$/,\"$1\");break;case\"m\":break;default:continue}n[f[l]]||(n[f[l]]=[]),n[f[l]].push(r)}}}import{parseString as ae}from\"dynamic-typing\";import{getGyromagneticRatio as oe}from\"gyromagnetic-ratio\";import ie from\"ml-array-median\";function se(e){return Array.isArray(e)?e[0]:e}function j(e){let{spectra:m}=e,n=m[0].data.y[0],o=n,f=m.length,i=m[0].data.x.length||0,t=new Array(f);for(let s=0;s<f;s++){t[s]=m[s].data.y;for(let a=0;a<i;a++){let c=t[s][a];c<n&&(n=c),c>o&&(o=c)}}let l=m[0].data.x[0],r=m[0].data.x.at(-1),{firstY:p,lastY:u}=pe(e);if(l>r)for(let s of t)s.reverse();p>u&&t.reverse();let b=[];for(let s of t){let a=Float64Array.from(s);for(let c=0;c<a.length;c++)a[c]<0&&(a[c]=-a[c]);b.push(ie(a))}let h=ie(b);return{z:t,minX:Math.min(l,r),maxX:Math.max(l,r),minY:Math.min(p,u),maxY:Math.max(p,u),minZ:n,maxZ:o,noise:h}}function pe(e){let{spectra:m,ntuples:n,info:o}=e;if(n)for(let f of n){let{symbol:i,nucleus:t,units:l}=f;if(i.match(/[F|T]1/)&&l?.toUpperCase().match(\"HZ\")){let r=se(o[\".OBSERVEFREQUENCY\"]),{nucleus:p}=n.find(c=>c.symbol.match(/[F|T]2/));if([r,p,t].some(c=>!c))break;let u=oe(p),b=oe(t),{first:h,last:s}=f,a=b!==null&&u!==null?r*b/u:r;return{firstY:h/a,lastY:s/a}}}return{firstY:m[0].pageValue,lastY:m.at(-1).pageValue}}function Z(e,m){let n=e.noise,o=e.z,f,i,t,l,r,p,u,b,h=o.length,s=o[0].length,a,c,d,A,y=e.minX,S=(e.maxX-y)/(s-1),N=e.minY,X=(e.maxY-N)/(h-1),M=e.minZ,C=e.maxZ,Y=m.nbContourLevels*2,R=new Array(Y),x;for(let F=0;F<Y;F++){let U={};R[F]=U;let le=F%2,K=(C-m.noiseMultiplier*n)*Math.exp((F>>1)-m.nbContourLevels);le===0?x=K+m.noiseMultiplier*n:x=0-K-m.noiseMultiplier*n;let D=[];if(U.zValue=x,U.lines=D,!(x<=M||x>=C))for(let v=0;v<h-1;v++){let Q=o[v],_=o[v+1];for(let T=0;T<s-1;T++)f=Q[T],i=Q[T+1],t=_[T],l=_[T+1],r=f>x,p=i>x,u=t>x,b=l>x,r!==p&&r!==u&&(a=T+(x-f)/(i-f),c=v,d=T,A=v+(x-f)/(t-f),D.push(a*S+y,c*X+N,d*S+y,A*X+N)),b!==p&&b!==u&&(a=T+1,c=v+1-(x-l)/(i-l),d=T+1-(x-l)/(t-l),A=v+1,D.push(a*S+y,c*X+N,d*S+y,A*X+N)),p!==u&&(a=(T+1-(x-i)/(t-i))*S+y,c=(v+(x-i)/(t-i))*X+N,p!==r&&(d=T+1-(x-i)/(f-i),A=v,D.push(a,c,d*S+y,A*X+N)),u!==r&&(d=T,A=v+1-(x-t)/(f-t),D.push(a,c,d*S+y,A*X+N)),p!==b&&(d=T+1,A=v+(x-i)/(l-i),D.push(a,c,d*S+y,A*X+N)),u!==b&&(d=T+(x-t)/(l-t),A=v+1,D.push(a,c,d*S+y,A*X+N)))}}return{minX:e.minX,maxX:e.maxX,minY:e.minY,maxY:e.maxY,segments:R}}function G(e,m){let n=j(e);m.noContour||(e.contourLines=Z(n,m),delete n.z),e.minMax=n}import{getGyromagneticRatio as W}from\"gyromagnetic-ratio\";function H(e,m){for(let n of e){let o=0,f=0;for(let i of n.spectra){if(n.ntuples?.symbol?(!o&&i.observeFrequency&&(o=i.observeFrequency),!f&&i.shiftOffsetVal&&(f=i.shiftOffsetVal)):(o=i.observeFrequency,f=i.shiftOffsetVal),o&&i.xUnits?.toUpperCase().includes(\"HZ\")&&(i.xUnits=\"PPM\",i.xFactor=i.xFactor!==void 0?i.xFactor/o:void 0,i.firstX=i.firstX!==void 0?i.firstX/o:void 0,i.lastX=i.lastX!==void 0?i.lastX/o:void 0,i.deltaX=i.deltaX!==void 0?i.deltaX/o:void 0,i.data))for(let t=0;t<i.data.x.length;t++)i.data.x[t]/=o;if(f&&i.xUnits.toLowerCase().includes(\"ppm\")&&i.firstX!==void 0&&i.lastX!==void 0){let t=i.firstX-f;if(i.firstX=i.firstX-t,i.lastX=i.lastX-t,i.data)for(let l=0;l<i.data.x.length;l++)i.data.x[l]-=t}if(n.ntuples?.nucleus&&n.ntuples.symbol)for(let t=0;t<n.ntuples.nucleus.length;t++){let l=n.ntuples.symbol[t],r=n.ntuples.nucleus[t];if(l.match(/^[F|T]/)&&!r){if(l.match(/[F|T]1/))if(n.tmp.$NUC2&&typeof n.tmp.$NUC2==\"string\")n.ntuples.nucleus[t]=n.tmp.$NUC2;else{let p=n.ntuples.symbol.indexOf(l.replace(/^([F|T]).*/,\"$12\"));p&&n.ntuples.nucleus[p]&&(n.ntuples.nucleus[t]=n.ntuples.nucleus[p])}l.match(/[F|T]2/)&&typeof n.tmp.$NUC1==\"string\"&&(n.ntuples.nucleus[t]=n.tmp.$NUC1)}l.match(/[F|T]2/)&&(n.yType=n.ntuples.nucleus[0],n.xType&&!W(n.xType)&&(n.xType=n.ntuples.nucleus[1]))}if(o&&n.ntuples?.symbol&&n.ntuples.nucleus){let t=\"\",l=n.ntuples.symbol.indexOf(i.pageSymbol);n.ntuples.units?.[l]&&(t=n.ntuples.units[l]);let{nucleus:r}=n.ntuples;if(!t.toLowerCase().match(/(ppm|seconds)/)&&r.length>1){if(l!==0){let h=\"Not sure about this ntuples format\";if(m){m.warn(h);continue}else throw new Error(h)}let{nucleus:p}=n.ntuples,u=W(p[0]),b=W(p[1]);if(!u||!b){let h=`Problem with determination of gyromagnetic ratio for ${p.join(\"-\")}`;if(m)m.error(h);else throw new Error(h)}else{let h=u/b*o;i.pageValue/=h}}}}}}function J(e){let m=e.spectra[0].data;e.chromatogram={times:m.x.slice(),series:{intensity:{dimension:1,data:m.y.slice()}}}}function q(e,m,n){H(e,n.logger),de(e,n);for(let o of e){if(Object.keys(o.ntuples).length>0){let f=[],i=Object.keys(o.ntuples);for(let t of i){let l=o.ntuples[t];if(l)for(let r=0;r<l.length;r++)f[r]||(f[r]={}),f[r][t]=l[r]}o.ntuples=f}o.twoD&&n.wantXY&&(G(o,n),n.logger?.trace({profiling:!0},\"Finished countour plot calculation\"),n.keepSpectra||delete o.spectra),n.chromatogram&&(o.spectra.length>1?te(o):J(o),n.logger?.trace({profiling:!0},\"Finished chromatogram calculation\")),delete o.tmp}}function de(e,m){for(let n of e)for(let o in n.meta){let f=n.meta[o];if(typeof f==\"string\"){if(f.startsWith(\"{\")){if(!f.includes(\":\")&&f.endsWith(\"}\")){let i=f.slice(1,-1).split(/[,; ]+/).filter(Boolean);for(let t=0;t<i.length;t++)n.meta[o+String(t)]=m.dynamicTyping?ae(i[t]):i[t]}}else if(f.startsWith(\"(\")){let i=f.split(/\\r?\\n/),t=/^\\((?<from>\\d+)\\.\\.(?<to>\\d+)\\).*$/;if(t.test(i[0])){let[l,r]=i[0].match(t)?.slice(1).map(Number)??[],p=i.slice(1).join(\" \").split(/[,; ]+/).filter(Boolean);for(let u=l;u<=r;u++)m.dynamicTyping&&typeof p[u-l]==\"string\"?n.meta[o+String(u)]=ae(p[u-l]):n.meta[o+String(u)]=p[u-l]}}}}}function z(e,m,n){let o=-1,f=-1,i=\"\",t=\"\";if(n.indexOf(\"++\")>0)i=n.replace(/.*\\(([a-zA-Z0-9]+)\\+\\+.*/,\"$1\"),t=n.replace(/.*\\.\\.([a-zA-Z0-9]+).*/,\"$1\");else{n=n.replaceAll(/[^a-zA-Z%]/g,\"\"),i=n.charAt(0),t=n.charAt(1),m.variables={};for(let l of n){let r=l.toLowerCase(),p=e.ntuples.symbol?.indexOf(l)||0;if(p===-1)throw new Error(`Symbol undefined: ${l}`);m.variables[r]={};for(let u in e.ntuples)e.ntuples[u]?.[p]&&(m.variables[r][u.replace(/^var/,\"\")]=e.ntuples[u]?.[p])}}o=e.ntuples.symbol?.indexOf(i)??-1,f=e.ntuples.symbol?.indexOf(t)??-1,o===-1&&(o=0),f===-1&&(f=0),e.ntuples.first&&(e.ntuples.first.length>o&&(m.firstX=e.ntuples.first[o]),e.ntuples.first.length>f&&(m.firstY=e.ntuples.first[f])),e.ntuples.last&&(e.ntuples.last.length>o&&(m.lastX=e.ntuples.last[o]),e.ntuples.last.length>f&&(m.lastY=e.ntuples.last[f])),e.ntuples.vardim&&e.ntuples.vardim.length>o&&(m.nbPoints=e.ntuples.vardim[o]),e.ntuples.factor&&(e.ntuples.factor.length>o&&(m.xFactor=e.ntuples.factor[o]),e.ntuples.factor.length>f&&(m.yFactor=e.ntuples.factor[f])),e.ntuples.units&&(e.ntuples.units.length>o&&(e.ntuples.varname?.[o]?m.xUnits=`${e.ntuples.varname[o]} [${e.ntuples.units[o]}]`:m.xUnits=e.ntuples.units[o]),e.ntuples.units.length>f&&(e.ntuples.varname?.[f]?m.yUnits=`${e.ntuples.varname[f]} [${e.ntuples.units[f]}]`:m.yUnits=e.ntuples.units[f]))}function w(e){e.xFactor||(e.xFactor=1),e.yFactor||(e.yFactor=1)}var L=/[ \\t]*,[ \\t]*/,he={removeComments:!1,keepRecordsRegExp:/^$/,canonicDataLabels:!0,canonicMetadataLabels:!1,dynamicTyping:!0,withoutXY:!1,noTrimRegExp:/^$/,chromatogram:!1,keepSpectra:!1,noContour:!1,nbContourLevels:7,noiseMultiplier:5};function xe(e,m={}){e=ge(e);let n={...he,...m};n.logger?.debug(\"Starting jcamp conversion\"),n.wantXY=!n.withoutXY,n.start=Date.now();let o=[],f={entries:[],flatten:[]},i={children:[],spectra:[],ntuples:{},info:{},meta:{},tmp:{}},t=i,l=[],r={data:{}};n.logger?.trace({profiling:!0},\"Before split to LDRS\");let p=e.replaceAll(/[\\r\\n]+##/g,`\n##`).split(`\n##`);n.logger?.trace({profiling:!0},\"Split to LDRS\"),p[0]&&(p[0]=p[0].replace(/^[\\r\\n ]*##/,\"\"));for(let u of p){let b=u.indexOf(\"=\"),h=b>0?u.slice(0,Math.max(0,b)):u,s=b>0?h.match(n.noTrimRegExp)?u.slice(Math.max(0,b+1)):u.slice(Math.max(0,b+1)).trim():\"\",a=h.replaceAll(/[_ -]/g,\"\").toUpperCase();if(a===\"DATATABLE\"){let c=s.indexOf(`\n`);if(c===-1&&(c=s.indexOf(\"\\r\")),c>0){let d=s.slice(0,Math.max(0,c)).split(/[ ,;\\t]+/);z(t,r,d[0]),r.datatable=d[0],d[1]?.includes(\"PEAKS\")?a=\"PEAKTABLE\":d[1]&&(d[1].indexOf(\"XYDATA\")||d[0].indexOf(\"++\")>0)&&(a=\"XYDATA\",r.nbPoints&&r.lastX!==void 0&&r.firstX!==void 0&&(r.deltaX=(r.lastX-r.firstX)/(r.nbPoints-1)))}}if(a===\"XYDATA\"){n.wantXY&&(w(r),s.match(/.*\\+\\+.*/)?(r.nbPoints&&r.lastX!==void 0&&r.firstX!==void 0&&(r.deltaX=(r.lastX-r.firstX)/(r.nbPoints-1)),V(r,s,n)):P(r,s,n),t?.spectra.push(r),r={data:{}});continue}else if(a===\"PEAKTABLE\"){n.wantXY&&(w(r),P(r,s,n),t?.spectra.push(r),r={data:{}});continue}if(a===\"PEAKASSIGNMENTS\"){n.wantXY&&(s.match(/.*[^A-Z]*.*/)&&B(r,s),t?.spectra.push(r),r={data:{}});continue}if(n.removeComments&&(s=s.split(/\\r?\\n/).map(c=>c.replace(/ *\\$\\$.*$/,\"\")).join(`\n`)),a===\"TITLE\"){let c=t;c.children||(c.children=[]),t={spectra:[],ntuples:{},info:{},meta:{},tmp:{}},c.children.push(t),l.push(c),o.push(t),t.title=s}else a===\"DATATYPE\"?(t.dataType=s,s.match(/^nd|\\snd\\s/i)&&(t.twoD=!0)):a===\"NTUPLES\"?s.match(/^nd|\\snd\\s/i)&&(t.twoD=!0):a===\"DATACLASS\"?t.dataClass=s:a===\"JCAMPDX\"?t.jcampDX=O(s):a===\"JCAMPCS\"?t.jcampCS=O(s):a===\"XUNITS\"?r.xUnits=s:a===\"YUNITS\"?r.yUnits=s:a===\"FIRSTX\"?r.firstX=Number(s):a===\"LASTX\"?r.lastX=Number(s):a===\"FIRSTY\"?r.firstY=Number(s):a===\"LASTY\"?r.lastY=Number(s):a===\"NPOINTS\"?r.nbPoints=Number(s):a===\"XFACTOR\"?r.xFactor=Number(s):a===\"YFACTOR\"?r.yFactor=Number(s):a===\"MAXX\"?r.maxX=Number(s):a===\"MINX\"?r.minX=Number(s):a===\"MAXY\"?r.maxY=Number(s):a===\"MINY\"?r.minY=Number(s):a===\"DELTAX\"?r.deltaX=Number(s):a===\".OBSERVEFREQUENCY\"||a===\"$SFO1\"?r.observeFrequency||(r.observeFrequency=Number(s)):a===\".OBSERVENUCLEUS\"?r.xType||(t.xType=s.replaceAll(/[^a-zA-Z0-9]/g,\"\")):a===\"$OFFSET\"?(t.shiftOffsetNum=0,r.shiftOffsetVal||(r.shiftOffsetVal=Number(s))):a===\"$REFERENCEPOINT\"||(a===\"VARNAME\"?t.ntuples.varname=s.split(L):a===\"SYMBOL\"?t.ntuples.symbol=s.split(L):a===\"VARTYPE\"?t.ntuples.vartype=s.split(L):a===\"VARFORM\"?t.ntuples.varform=s.split(L):a===\"VARDIM\"?t.ntuples.vardim=E(s.split(L)):a===\"UNITS\"?t.ntuples.units=s.split(L):a===\"FACTOR\"?t.ntuples.factor=E(s.split(L)):a===\"FIRST\"?t.ntuples.first=E(s.split(L)):a===\"LAST\"?t.ntuples.last=E(s.split(L)):a===\"MIN\"?t.ntuples.min=E(s.split(L)):a===\"MAX\"?t.ntuples.max=E(s.split(L)):a===\".NUCLEUS\"?t.ntuples&&(t.ntuples.nucleus=s.split(L).map(c=>c.replaceAll(/[^a-zA-Z0-9]/g,\"\"))):a===\"PAGE\"?(r.page=s.trim(),r.pageValue=Number(s.replace(/^.*=/,\"\")),r.pageSymbol=r.page.replace(/[=].*/,\"\")):a===\"RETENTIONTIME\"?r.pageValue=Number(s):ne(a)?r[k(a)]=s:a===\"SAMPLEDESCRIPTION\"?r.sampleDescription=s:a.startsWith(\"$NUC\")?!t.tmp[a]&&!s.includes(\"off\")&&(t.tmp[a]=s.replaceAll(/[<>]/g,\"\")):a===\"END\"&&(t=l.pop()));if(t?.info&&t.meta&&a.match(n.keepRecordsRegExp)){let c,d;h.startsWith(\"$\")?(d=n.canonicMetadataLabels?a.slice(1):h.slice(1),c=t.meta):(d=n.canonicDataLabels?a:h,c=t.info),n.dynamicTyping&&(s=be(s)),c[d]?(Array.isArray(c[d])||(c[d]=[c[d]]),c[d].push(s)):c[d]=s}}if(n.logger?.trace({profiling:!0},\"Finished parsing\"),q(o,f,n),n.logger?.trace({profiling:!0},\"Total time\"),f.entries=i.children||[],f.flatten=o,n.logger){n.logger.debug(\"Finished jcamp conversion\");for(let u of f.flatten)n.logger.debug(`${u.dataType} - ${u.title}`)}return f}function ye(e,m){let{logger:n,OCL:o}=m;if(!e.info.ATOMLIST||!e.info.BONDLIST){n?.warn(\"No ATOMLIST or BONDLIST in the JCAMP-CS entry\");return}Te(e,n);let f=Ce(e.info.ATOMLIST),i=Se(e.info.BONDLIST),t=Ne(e.info.CHARGE,n),l=Ae(o,f,i,t,n);return{molecule:l,molfile:l.toMolfile()}}function Ae(e,m,n,o,f){let i={S:e.Molecule.cBondTypeSingle,D:e.Molecule.cBondTypeDouble,T:e.Molecule.cBondTypeTriple,Q:e.Molecule.cBondTypeQuadruple},t={},l=new e.Molecule(m.length,n.length);for(let r of m){let p=e.Molecule.getAtomicNoFromLabel(r.element);p||(f?.error(`Atomic number of ${r.element} could not be determined`),p=e.Molecule.getAtomicNoFromLabel(\"X\")),t[r.atomNumber]=l.addAtom(p),l.setAtomMapNo(t[r.atomNumber],r.atomNumber,!1)}for(let r of n){if(t[r.atomNumber1]===void 0){f?.error(`A bond goes to atomNumber ${r.atomNumber1} that does not exists`);continue}if(t[r.atomNumber2]===void 0){f?.error(`A bond goes to atomNumber ${r.atomNumber2} that does not exists`);continue}let p=l.addBond(t[r.atomNumber1],t[r.atomNumber2]);l.setBondType(p,i[r.bondType])}for(let r of o){if(t[r.atomNumber]===void 0){f?.error(`A charge goes to atomNumber ${r.atomNumber} that does not exists`);continue}l.setAtomCharge(t[r.atomNumber],r.value)}return l}function Ce(e){let m=e.split(/\\r?\\n/).map(o=>O(o)).filter(Boolean),n=[];for(let o of m){let[f,i,t]=o.trim().split(/\\s+/);n.push({atomNumber:Number(f),element:i,nbImplicitHydrogens:t?.length>0?Number(t):void 0})}return n}function Se(e){let m=e.split(/\\r?\\n/).map(o=>O(o)).filter(Boolean),n=[];for(let o of m){let[f,i,t]=o.trim().split(/\\s+/);n.push({atomNumber1:Number(f),atomNumber2:Number(i),bondType:t})}return n}function Ne(e,m){if(!e)return[];let n=e.split(/\\r?\\n/).map(f=>O(f)).filter(Boolean),o=[];for(let f of n){let[i,t,l]=f.trim().split(/\\s+/);l!==void 0&&m?.warn(\"Charge on multiple atom is not supported\"),o.push({atomNumber:Number(t),value:Number(i)})}return o}function Te(e,m){let n=[\"STEREOPAIR\",\"STEREOCENTER\",\"RADICAL\",\"STEREOMOLECULE\"];for(let o of n)e.info[o]&&m?.warn(`JCAMP-CS parser do not support: ${o}`)}export{xe as convert,me as createTree,ye as parseJcampCS};\n","import { convert as converter } from 'jcampconverter';\n\nimport { fromJSON } from '../Chromatogram';\n\nexport function fromJcamp(jcamp) {\n  const data = converter(jcamp, { chromatogram: true }).flatten[0].chromatogram;\n  return fromJSON(data);\n}\n","import { ensureString } from 'ensure-string';\nimport { xyUniqueX, xMaxValue, xIsMonotonic } from 'ml-spectra-processing';\n/**\n * General internal parsing function\n * @param text - Csv or tsv strings.\n * @param options - Parsing options\n * @returns parsed text file with column information\n */\nexport function parse(text, options = {}) {\n    const { rescale = false, uniqueX = false, bestGuess = false, \n    //@ts-expect-error old library used this property and we want to throw an error so that people are forced to migrate\n    keepInfo, } = options;\n    let { xColumn = 0, yColumn = 1, numberColumns = Number.MAX_SAFE_INTEGER, maxNumberColumns = Number.MAX_SAFE_INTEGER, minNumberColumns = 2, } = options;\n    if (keepInfo !== undefined) {\n        throw new Error('keepInfo has been deprecated, pelase use the new method parseXYAndKeepInfo');\n    }\n    text = ensureString(text);\n    maxNumberColumns = Math.max(maxNumberColumns, xColumn + 1, yColumn + 1);\n    minNumberColumns = Math.max(xColumn + 1, yColumn + 1, minNumberColumns);\n    const lines = text.split(/[\\r\\n]+/);\n    let matrix = [];\n    const info = [];\n    let position = 0;\n    lines.forEach((line) => {\n        line = line.trim();\n        // we will consider only lines that contains only numbers\n        if (/[0-9]+/.test(line) && /^[0-9eE,;. \\t+-]+$/.test(line)) {\n            let fields = line.split(/,[; \\t]+|[; \\t]+/);\n            if (fields.length === 1) {\n                fields = line.split(/[,; \\t]+/);\n            }\n            if (fields &&\n                fields.length >= minNumberColumns && // we filter lines that have not enough or too many columns\n                fields.length <= maxNumberColumns) {\n                matrix.push(fields.map((value) => parseFloat(value.replace(',', '.'))));\n                position++;\n            }\n        }\n        else if (line) {\n            info.push({ position, value: line });\n        }\n    });\n    if (bestGuess) {\n        if (matrix[0] &&\n            matrix[0].length === 3 &&\n            options.xColumn === undefined &&\n            options.yColumn === undefined) {\n            // is the first column a seuqnetial number ?\n            let skipFirstColumn = true;\n            for (let i = 0; i < matrix.length - 1; i++) {\n                if (Math.abs(matrix[i][0] - matrix[i + 1][0]) !== 1) {\n                    skipFirstColumn = false;\n                }\n            }\n            if (skipFirstColumn) {\n                xColumn = 1;\n                yColumn = 2;\n            }\n        }\n        if (matrix[0] && matrix[0].length > 3) {\n            const xs = [];\n            for (const row of matrix) {\n                for (let i = xColumn; i < row.length; i += 2) {\n                    xs.push(row[i]);\n                }\n            }\n            if (xIsMonotonic(xs)) {\n                numberColumns = 2;\n            }\n        }\n    }\n    if (numberColumns) {\n        const newMatrix = [];\n        for (const row of matrix) {\n            for (let i = 0; i < row.length; i += numberColumns) {\n                newMatrix.push(row.slice(i, i + numberColumns));\n            }\n        }\n        matrix = newMatrix;\n    }\n    let result = {\n        x: matrix.map((row) => row[xColumn]),\n        y: matrix.map((row) => row[yColumn]),\n    };\n    if (uniqueX) {\n        result = xyUniqueX(result, { algorithm: 'sum' });\n    }\n    if (rescale) {\n        const maxY = xMaxValue(result.y);\n        for (let i = 0; i < result.y.length; i++) {\n            result.y[i] /= maxY;\n        }\n    }\n    return {\n        info,\n        data: result,\n    };\n}\n//# sourceMappingURL=parse.js.map","import { parse } from './parse';\nexport * from './ParseXYOptions';\n/**\n * Parse a text-file and convert it to an object {x:[], y:[]}\n * @param text - Csv or tsv strings.\n * @param options - Parsing options\n * @returns - The parsed data\n */\nexport function parseXY(text, options = {}) {\n    return parse(text, options).data;\n}\n/**\n * Parse a text-file and returns the parsed data and information about the columns\n * @param text - Csv or tsv strings.\n * @param options - Parsing options\n * @returns - The parsed data with information about the columns\n */\nexport function parseXYAndKeepInfo(text, options = {}) {\n    return parse(text, options);\n}\n//# sourceMappingURL=index.js.map","import { parseXY } from 'xy-parser';\n\nimport { Chromatogram } from '../Chromatogram';\n\nexport function fromText(text, options = {}) {\n  const data = parseXY(text, options);\n\n  const time = data.x;\n  let series = {\n    intensity: data.y,\n  };\n\n  return new Chromatogram(time, series);\n}\n","// eslint-disable-next-line import/no-unassigned-import\nimport './text-encoding-polyfill';\nexport function decode(bytes, encoding = 'utf8') {\n    const decoder = new TextDecoder(encoding);\n    return decoder.decode(bytes);\n}\nconst encoder = new TextEncoder();\nexport function encode(str) {\n    return encoder.encode(str);\n}\n//# sourceMappingURL=text.browser.js.map","import { decode, encode } from './text';\nconst defaultByteLength = 1024 * 8;\nconst hostBigEndian = (() => {\n    const array = new Uint8Array(4);\n    const view = new Uint32Array(array.buffer);\n    return !((view[0] = 1) & array[0]);\n})();\nconst typedArrays = {\n    int8: globalThis.Int8Array,\n    uint8: globalThis.Uint8Array,\n    int16: globalThis.Int16Array,\n    uint16: globalThis.Uint16Array,\n    int32: globalThis.Int32Array,\n    uint32: globalThis.Uint32Array,\n    uint64: globalThis.BigUint64Array,\n    int64: globalThis.BigInt64Array,\n    float32: globalThis.Float32Array,\n    float64: globalThis.Float64Array,\n};\nexport class IOBuffer {\n    /**\n     * @param data - The data to construct the IOBuffer with.\n     * If data is a number, it will be the new buffer's length<br>\n     * If data is `undefined`, the buffer will be initialized with a default length of 8Kb<br>\n     * If data is an ArrayBuffer, SharedArrayBuffer, an ArrayBufferView (Typed Array), an IOBuffer instance,\n     * or a Node.js Buffer, a view will be created over the underlying ArrayBuffer.\n     * @param options\n     */\n    constructor(data = defaultByteLength, options = {}) {\n        let dataIsGiven = false;\n        if (typeof data === 'number') {\n            data = new ArrayBuffer(data);\n        }\n        else {\n            dataIsGiven = true;\n            this.lastWrittenByte = data.byteLength;\n        }\n        const offset = options.offset ? options.offset >>> 0 : 0;\n        const byteLength = data.byteLength - offset;\n        let dvOffset = offset;\n        if (ArrayBuffer.isView(data) || data instanceof IOBuffer) {\n            if (data.byteLength !== data.buffer.byteLength) {\n                dvOffset = data.byteOffset + offset;\n            }\n            data = data.buffer;\n        }\n        if (dataIsGiven) {\n            this.lastWrittenByte = byteLength;\n        }\n        else {\n            this.lastWrittenByte = 0;\n        }\n        this.buffer = data;\n        this.length = byteLength;\n        this.byteLength = byteLength;\n        this.byteOffset = dvOffset;\n        this.offset = 0;\n        this.littleEndian = true;\n        this._data = new DataView(this.buffer, dvOffset, byteLength);\n        this._mark = 0;\n        this._marks = [];\n    }\n    /**\n     * Checks if the memory allocated to the buffer is sufficient to store more\n     * bytes after the offset.\n     * @param byteLength - The needed memory in bytes.\n     * @returns `true` if there is sufficient space and `false` otherwise.\n     */\n    available(byteLength = 1) {\n        return this.offset + byteLength <= this.length;\n    }\n    /**\n     * Check if little-endian mode is used for reading and writing multi-byte\n     * values.\n     * @returns `true` if little-endian mode is used, `false` otherwise.\n     */\n    isLittleEndian() {\n        return this.littleEndian;\n    }\n    /**\n     * Set little-endian mode for reading and writing multi-byte values.\n     */\n    setLittleEndian() {\n        this.littleEndian = true;\n        return this;\n    }\n    /**\n     * Check if big-endian mode is used for reading and writing multi-byte values.\n     * @returns `true` if big-endian mode is used, `false` otherwise.\n     */\n    isBigEndian() {\n        return !this.littleEndian;\n    }\n    /**\n     * Switches to big-endian mode for reading and writing multi-byte values.\n     */\n    setBigEndian() {\n        this.littleEndian = false;\n        return this;\n    }\n    /**\n     * Move the pointer n bytes forward.\n     * @param n - Number of bytes to skip.\n     */\n    skip(n = 1) {\n        this.offset += n;\n        return this;\n    }\n    /**\n     * Move the pointer n bytes backward.\n     * @param n - Number of bytes to move back.\n     */\n    back(n = 1) {\n        this.offset -= n;\n        return this;\n    }\n    /**\n     * Move the pointer to the given offset.\n     * @param offset\n     */\n    seek(offset) {\n        this.offset = offset;\n        return this;\n    }\n    /**\n     * Store the current pointer offset.\n     * @see {@link IOBuffer#reset}\n     */\n    mark() {\n        this._mark = this.offset;\n        return this;\n    }\n    /**\n     * Move the pointer back to the last pointer offset set by mark.\n     * @see {@link IOBuffer#mark}\n     */\n    reset() {\n        this.offset = this._mark;\n        return this;\n    }\n    /**\n     * Push the current pointer offset to the mark stack.\n     * @see {@link IOBuffer#popMark}\n     */\n    pushMark() {\n        this._marks.push(this.offset);\n        return this;\n    }\n    /**\n     * Pop the last pointer offset from the mark stack, and set the current\n     * pointer offset to the popped value.\n     * @see {@link IOBuffer#pushMark}\n     */\n    popMark() {\n        const offset = this._marks.pop();\n        if (offset === undefined) {\n            throw new Error('Mark stack empty');\n        }\n        this.seek(offset);\n        return this;\n    }\n    /**\n     * Move the pointer offset back to 0.\n     */\n    rewind() {\n        this.offset = 0;\n        return this;\n    }\n    /**\n     * Make sure the buffer has sufficient memory to write a given byteLength at\n     * the current pointer offset.\n     * If the buffer's memory is insufficient, this method will create a new\n     * buffer (a copy) with a length that is twice (byteLength + current offset).\n     * @param byteLength\n     */\n    ensureAvailable(byteLength = 1) {\n        if (!this.available(byteLength)) {\n            const lengthNeeded = this.offset + byteLength;\n            const newLength = lengthNeeded * 2;\n            const newArray = new Uint8Array(newLength);\n            newArray.set(new Uint8Array(this.buffer));\n            this.buffer = newArray.buffer;\n            this.length = this.byteLength = newLength;\n            this._data = new DataView(this.buffer);\n        }\n        return this;\n    }\n    /**\n     * Read a byte and return false if the byte's value is 0, or true otherwise.\n     * Moves pointer forward by one byte.\n     */\n    readBoolean() {\n        return this.readUint8() !== 0;\n    }\n    /**\n     * Read a signed 8-bit integer and move pointer forward by 1 byte.\n     */\n    readInt8() {\n        return this._data.getInt8(this.offset++);\n    }\n    /**\n     * Read an unsigned 8-bit integer and move pointer forward by 1 byte.\n     */\n    readUint8() {\n        return this._data.getUint8(this.offset++);\n    }\n    /**\n     * Alias for {@link IOBuffer#readUint8}.\n     */\n    readByte() {\n        return this.readUint8();\n    }\n    /**\n     * Read `n` bytes and move pointer forward by `n` bytes.\n     */\n    readBytes(n = 1) {\n        return this.readArray(n, 'uint8');\n    }\n    /**\n     * Creates an array of corresponding to the type `type` and size `size`.\n     * For example type `uint8` will create a `Uint8Array`.\n     * @param size - size of the resulting array\n     * @param type - number type of elements to read\n     */\n    readArray(size, type) {\n        const bytes = typedArrays[type].BYTES_PER_ELEMENT * size;\n        const offset = this.byteOffset + this.offset;\n        const slice = this.buffer.slice(offset, offset + bytes);\n        if (this.littleEndian === hostBigEndian &&\n            type !== 'uint8' &&\n            type !== 'int8') {\n            const slice = new Uint8Array(this.buffer.slice(offset, offset + bytes));\n            slice.reverse();\n            const returnArray = new typedArrays[type](slice.buffer);\n            this.offset += bytes;\n            returnArray.reverse();\n            return returnArray;\n        }\n        const returnArray = new typedArrays[type](slice);\n        this.offset += bytes;\n        return returnArray;\n    }\n    /**\n     * Read a 16-bit signed integer and move pointer forward by 2 bytes.\n     */\n    readInt16() {\n        const value = this._data.getInt16(this.offset, this.littleEndian);\n        this.offset += 2;\n        return value;\n    }\n    /**\n     * Read a 16-bit unsigned integer and move pointer forward by 2 bytes.\n     */\n    readUint16() {\n        const value = this._data.getUint16(this.offset, this.littleEndian);\n        this.offset += 2;\n        return value;\n    }\n    /**\n     * Read a 32-bit signed integer and move pointer forward by 4 bytes.\n     */\n    readInt32() {\n        const value = this._data.getInt32(this.offset, this.littleEndian);\n        this.offset += 4;\n        return value;\n    }\n    /**\n     * Read a 32-bit unsigned integer and move pointer forward by 4 bytes.\n     */\n    readUint32() {\n        const value = this._data.getUint32(this.offset, this.littleEndian);\n        this.offset += 4;\n        return value;\n    }\n    /**\n     * Read a 32-bit floating number and move pointer forward by 4 bytes.\n     */\n    readFloat32() {\n        const value = this._data.getFloat32(this.offset, this.littleEndian);\n        this.offset += 4;\n        return value;\n    }\n    /**\n     * Read a 64-bit floating number and move pointer forward by 8 bytes.\n     */\n    readFloat64() {\n        const value = this._data.getFloat64(this.offset, this.littleEndian);\n        this.offset += 8;\n        return value;\n    }\n    /**\n     * Read a 64-bit signed integer number and move pointer forward by 8 bytes.\n     */\n    readBigInt64() {\n        const value = this._data.getBigInt64(this.offset, this.littleEndian);\n        this.offset += 8;\n        return value;\n    }\n    /**\n     * Read a 64-bit unsigned integer number and move pointer forward by 8 bytes.\n     */\n    readBigUint64() {\n        const value = this._data.getBigUint64(this.offset, this.littleEndian);\n        this.offset += 8;\n        return value;\n    }\n    /**\n     * Read a 1-byte ASCII character and move pointer forward by 1 byte.\n     */\n    readChar() {\n        return String.fromCharCode(this.readInt8());\n    }\n    /**\n     * Read `n` 1-byte ASCII characters and move pointer forward by `n` bytes.\n     */\n    readChars(n = 1) {\n        let result = '';\n        for (let i = 0; i < n; i++) {\n            result += this.readChar();\n        }\n        return result;\n    }\n    /**\n     * Read the next `n` bytes, return a UTF-8 decoded string and move pointer\n     * forward by `n` bytes.\n     */\n    readUtf8(n = 1) {\n        return decode(this.readBytes(n));\n    }\n    /**\n     * Read the next `n` bytes, return a string decoded with `encoding` and move pointer\n     * forward by `n` bytes.\n     * If no encoding is passed, the function is equivalent to @see {@link IOBuffer#readUtf8}\n     */\n    decodeText(n = 1, encoding = 'utf-8') {\n        return decode(this.readBytes(n), encoding);\n    }\n    /**\n     * Write 0xff if the passed value is truthy, 0x00 otherwise and move pointer\n     * forward by 1 byte.\n     */\n    writeBoolean(value) {\n        this.writeUint8(value ? 0xff : 0x00);\n        return this;\n    }\n    /**\n     * Write `value` as an 8-bit signed integer and move pointer forward by 1 byte.\n     */\n    writeInt8(value) {\n        this.ensureAvailable(1);\n        this._data.setInt8(this.offset++, value);\n        this._updateLastWrittenByte();\n        return this;\n    }\n    /**\n     * Write `value` as an 8-bit unsigned integer and move pointer forward by 1\n     * byte.\n     */\n    writeUint8(value) {\n        this.ensureAvailable(1);\n        this._data.setUint8(this.offset++, value);\n        this._updateLastWrittenByte();\n        return this;\n    }\n    /**\n     * An alias for {@link IOBuffer#writeUint8}.\n     */\n    writeByte(value) {\n        return this.writeUint8(value);\n    }\n    /**\n     * Write all elements of `bytes` as uint8 values and move pointer forward by\n     * `bytes.length` bytes.\n     */\n    writeBytes(bytes) {\n        this.ensureAvailable(bytes.length);\n        for (let i = 0; i < bytes.length; i++) {\n            this._data.setUint8(this.offset++, bytes[i]);\n        }\n        this._updateLastWrittenByte();\n        return this;\n    }\n    /**\n     * Write `value` as a 16-bit signed integer and move pointer forward by 2\n     * bytes.\n     */\n    writeInt16(value) {\n        this.ensureAvailable(2);\n        this._data.setInt16(this.offset, value, this.littleEndian);\n        this.offset += 2;\n        this._updateLastWrittenByte();\n        return this;\n    }\n    /**\n     * Write `value` as a 16-bit unsigned integer and move pointer forward by 2\n     * bytes.\n     */\n    writeUint16(value) {\n        this.ensureAvailable(2);\n        this._data.setUint16(this.offset, value, this.littleEndian);\n        this.offset += 2;\n        this._updateLastWrittenByte();\n        return this;\n    }\n    /**\n     * Write `value` as a 32-bit signed integer and move pointer forward by 4\n     * bytes.\n     */\n    writeInt32(value) {\n        this.ensureAvailable(4);\n        this._data.setInt32(this.offset, value, this.littleEndian);\n        this.offset += 4;\n        this._updateLastWrittenByte();\n        return this;\n    }\n    /**\n     * Write `value` as a 32-bit unsigned integer and move pointer forward by 4\n     * bytes.\n     */\n    writeUint32(value) {\n        this.ensureAvailable(4);\n        this._data.setUint32(this.offset, value, this.littleEndian);\n        this.offset += 4;\n        this._updateLastWrittenByte();\n        return this;\n    }\n    /**\n     * Write `value` as a 32-bit floating number and move pointer forward by 4\n     * bytes.\n     */\n    writeFloat32(value) {\n        this.ensureAvailable(4);\n        this._data.setFloat32(this.offset, value, this.littleEndian);\n        this.offset += 4;\n        this._updateLastWrittenByte();\n        return this;\n    }\n    /**\n     * Write `value` as a 64-bit floating number and move pointer forward by 8\n     * bytes.\n     */\n    writeFloat64(value) {\n        this.ensureAvailable(8);\n        this._data.setFloat64(this.offset, value, this.littleEndian);\n        this.offset += 8;\n        this._updateLastWrittenByte();\n        return this;\n    }\n    /**\n     * Write `value` as a 64-bit signed bigint and move pointer forward by 8\n     * bytes.\n     */\n    writeBigInt64(value) {\n        this.ensureAvailable(8);\n        this._data.setBigInt64(this.offset, value, this.littleEndian);\n        this.offset += 8;\n        this._updateLastWrittenByte();\n        return this;\n    }\n    /**\n     * Write `value` as a 64-bit unsigned bigint and move pointer forward by 8\n     * bytes.\n     */\n    writeBigUint64(value) {\n        this.ensureAvailable(8);\n        this._data.setBigUint64(this.offset, value, this.littleEndian);\n        this.offset += 8;\n        this._updateLastWrittenByte();\n        return this;\n    }\n    /**\n     * Write the charCode of `str`'s first character as an 8-bit unsigned integer\n     * and move pointer forward by 1 byte.\n     */\n    writeChar(str) {\n        return this.writeUint8(str.charCodeAt(0));\n    }\n    /**\n     * Write the charCodes of all `str`'s characters as 8-bit unsigned integers\n     * and move pointer forward by `str.length` bytes.\n     */\n    writeChars(str) {\n        for (let i = 0; i < str.length; i++) {\n            this.writeUint8(str.charCodeAt(i));\n        }\n        return this;\n    }\n    /**\n     * UTF-8 encode and write `str` to the current pointer offset and move pointer\n     * forward according to the encoded length.\n     */\n    writeUtf8(str) {\n        return this.writeBytes(encode(str));\n    }\n    /**\n     * Export a Uint8Array view of the internal buffer.\n     * The view starts at the byte offset and its length\n     * is calculated to stop at the last written byte or the original length.\n     */\n    toArray() {\n        return new Uint8Array(this.buffer, this.byteOffset, this.lastWrittenByte);\n    }\n    /**\n     * Update the last written byte offset\n     * @private\n     */\n    _updateLastWrittenByte() {\n        if (this.offset > this.lastWrittenByte) {\n            this.lastWrittenByte = this.offset;\n        }\n    }\n}\n//# sourceMappingURL=IOBuffer.js.map","const types = {\n    BYTE: 1,\n    CHAR: 2,\n    SHORT: 3,\n    INT: 4,\n    FLOAT: 5,\n    DOUBLE: 6,\n};\n/**\n * Parse a number into their respective type\n * @param type - integer that represents the type\n * @return - parsed value of the type\n */\nexport function num2str(type) {\n    switch (Number(type)) {\n        case types.BYTE:\n            return 'byte';\n        case types.CHAR:\n            return 'char';\n        case types.SHORT:\n            return 'short';\n        case types.INT:\n            return 'int';\n        case types.FLOAT:\n            return 'float';\n        case types.DOUBLE:\n            return 'double';\n        default:\n            return 'undefined';\n    }\n}\n/**\n * Parse a number type identifier to his size in bytes\n * @param type - integer that represents the type\n * @return size of the type\n */\nexport function num2bytes(type) {\n    switch (Number(type)) {\n        case types.BYTE:\n            return 1;\n        case types.CHAR:\n            return 1;\n        case types.SHORT:\n            return 2;\n        case types.INT:\n            return 4;\n        case types.FLOAT:\n            return 4;\n        case types.DOUBLE:\n            return 8;\n        default:\n            return -1;\n    }\n}\n/**\n * Reverse search of num2str\n * @param type - string that represents the type\n * @return parsed value of the type\n */\nexport function str2num(type) {\n    switch (String(type)) {\n        case 'byte':\n            return types.BYTE;\n        case 'char':\n            return types.CHAR;\n        case 'short':\n            return types.SHORT;\n        case 'int':\n            return types.INT;\n        case 'float':\n            return types.FLOAT;\n        case 'double':\n            return types.DOUBLE;\n        /* istanbul ignore next */\n        default:\n            return -1;\n    }\n}\n/**\n * Auxiliary function to read numeric data\n * @param size - Size of the element to read\n * @param bufferReader - Function to read next value\n * @return\n */\nfunction readNumber(size, bufferReader) {\n    if (size !== 1) {\n        const numbers = new Array(size);\n        for (let i = 0; i < size; i++) {\n            numbers[i] = bufferReader();\n        }\n        return numbers;\n    }\n    else {\n        return bufferReader();\n    }\n}\n/**\n * Given a type and a size reads the next element\n * @param buffer - Buffer for the file data\n * @param type - Type of the data to read\n * @param size - Size of the element to read\n * @return\n */\nexport function readType(buffer, type, size) {\n    switch (type) {\n        case types.BYTE:\n            return Array.from(buffer.readBytes(size));\n        case types.CHAR:\n            return trimNull(buffer.readChars(size));\n        case types.SHORT:\n            return readNumber(size, buffer.readInt16.bind(buffer));\n        case types.INT:\n            return readNumber(size, buffer.readInt32.bind(buffer));\n        case types.FLOAT:\n            return readNumber(size, buffer.readFloat32.bind(buffer));\n        case types.DOUBLE:\n            return readNumber(size, buffer.readFloat64.bind(buffer));\n        default:\n            throw new Error(`non valid type ${type}`);\n    }\n}\n/**\n * Removes null terminate value\n * @param value - String to trim\n * @return - Trimmed string\n */\nfunction trimNull(value) {\n    if (value.charCodeAt(value.length - 1) === 0) {\n        return value.substring(0, value.length - 1);\n    }\n    return value;\n}\n//# sourceMappingURL=types.js.map","import { num2bytes, str2num, readType } from './types';\n// const STREAMING = 4294967295;\n/**\n * Read data for the given non-record variable\n * @param buffer - Buffer for the file data\n * @param variable - Variable metadata\n * @return - Data of the element\n */\nexport function nonRecord(buffer, variable) {\n    // variable type\n    const type = str2num(variable.type);\n    // size of the data\n    const size = variable.size / num2bytes(type);\n    // iterates over the data\n    const data = new Array(size);\n    for (let i = 0; i < size; i++) {\n        data[i] = readType(buffer, type, 1);\n    }\n    return data;\n}\n/**\n * Read data for the given record variable\n * @param buffer - Buffer for the file data\n * @param variable - Variable metadata\n * @param recordDimension - Record dimension metadata\n * @return - Data of the element\n */\nexport function record(buffer, variable, recordDimension) {\n    // variable type\n    const type = str2num(variable.type);\n    const width = variable.size ? variable.size / num2bytes(type) : 1;\n    // size of the data\n    // TODO streaming data\n    const size = recordDimension.length;\n    // iterates over the data\n    const data = new Array(size);\n    const step = recordDimension.recordStep;\n    if (step) {\n        for (let i = 0; i < size; i++) {\n            const currentOffset = buffer.offset;\n            data[i] = readType(buffer, type, width);\n            buffer.seek(currentOffset + step);\n        }\n    }\n    else {\n        throw new Error('recordDimension.recordStep is undefined');\n    }\n    return data;\n}\n//# sourceMappingURL=data.js.map","/**\n * Throws a non-valid NetCDF exception if the statement it's true\n * @ignore\n * @param statement - Throws if true\n * @param reason - Reason to throw\n */\nexport function notNetcdf(statement, reason) {\n    if (statement) {\n        throw new TypeError(`Not a valid NetCDF v3.x file: ${reason}`);\n    }\n}\n/**\n * Moves 1, 2, or 3 bytes to next 4-byte boundary\n * @param buffer - Buffer for the file data\n */\nexport function padding(buffer) {\n    if (buffer.offset % 4 !== 0) {\n        buffer.skip(4 - (buffer.offset % 4));\n    }\n}\n/**\n * Reads the name\n * @param buffer - Buffer for the file data\n * @return Name\n */\nexport function readName(buffer) {\n    // Read name\n    const nameLength = buffer.readUint32();\n    const name = buffer.readChars(nameLength);\n    // validate name\n    // TODO\n    // Apply padding\n    padding(buffer);\n    return name;\n}\n//# sourceMappingURL=utils.js.map","import { num2str, readType } from './types';\nimport { padding, notNetcdf, readName } from './utils';\n// Grammar constants\nconst ZERO = 0;\nconst NC_DIMENSION = 10;\nconst NC_VARIABLE = 11;\nconst NC_ATTRIBUTE = 12;\nconst NC_UNLIMITED = 0;\n/**\n * Reads the file header as @see {@link Header}\n * @param buffer - Buffer for the file data\n * @param version - Version of the file\n * @returns\n */\nexport function header(buffer, version) {\n    const header = { version };\n    const recordDimension = {\n        length: buffer.readUint32(),\n    };\n    const dimList = dimensionsList(buffer);\n    if (!Array.isArray(dimList)) {\n        recordDimension.id = dimList.recordId;\n        recordDimension.name = dimList.recordName;\n        header.dimensions = dimList.dimensions;\n    }\n    header.globalAttributes = attributesList(buffer);\n    const variables = variablesList(buffer, recordDimension?.id, version);\n    if (!Array.isArray(variables)) {\n        header.variables = variables.variables;\n        recordDimension.recordStep = variables.recordStep;\n    }\n    header.recordDimension = recordDimension;\n    return header;\n}\n/**\n * List of dimensions\n * @param buffer - Buffer for the file data\n * @return List of dimensions\n */\nfunction dimensionsList(buffer) {\n    const result = {};\n    let recordId, recordName;\n    const dimList = buffer.readUint32();\n    let dimensions;\n    if (dimList === ZERO) {\n        notNetcdf(buffer.readUint32() !== ZERO, 'wrong empty tag for list of dimensions');\n        return [];\n    }\n    else {\n        notNetcdf(dimList !== NC_DIMENSION, 'wrong tag for list of dimensions');\n        // Length of dimensions\n        const dimensionSize = buffer.readUint32();\n        dimensions = new Array(dimensionSize);\n        //populate `name` and `size` for each dimension\n        for (let dim = 0; dim < dimensionSize; dim++) {\n            // Read name\n            const name = readName(buffer);\n            // Read dimension size\n            const size = buffer.readUint32();\n            if (size === NC_UNLIMITED) {\n                // in netcdf 3 one field can be of size unlimited\n                recordId = dim;\n                recordName = name;\n            }\n            dimensions[dim] = {\n                name,\n                size,\n            };\n        }\n    }\n    if (recordId !== undefined) {\n        result.recordId = recordId;\n    }\n    if (recordName !== undefined) {\n        result.recordName = recordName;\n    }\n    result.dimensions = dimensions;\n    return result;\n}\n/**\n * List of attributes\n * @param buffer - Buffer for the file data\n * @return - List of attributes with:\n */\nfunction attributesList(buffer) {\n    const gAttList = buffer.readUint32();\n    let attributes;\n    if (gAttList === ZERO) {\n        notNetcdf(buffer.readUint32() !== ZERO, 'wrong empty tag for list of attributes');\n        return [];\n    }\n    else {\n        notNetcdf(gAttList !== NC_ATTRIBUTE, 'wrong tag for list of attributes');\n        // Length of attributes\n        const attributeSize = buffer.readUint32();\n        attributes = new Array(attributeSize);\n        // Populate `name`, `type` and `value` for each attribute\n        for (let gAtt = 0; gAtt < attributeSize; gAtt++) {\n            // Read name\n            const name = readName(buffer);\n            // Read type\n            const type = buffer.readUint32();\n            notNetcdf(type < 1 || type > 6, `non valid type ${type}`);\n            // Read attribute\n            const size = buffer.readUint32();\n            const value = readType(buffer, type, size);\n            // Apply padding\n            padding(buffer);\n            attributes[gAtt] = {\n                name,\n                type: num2str(type),\n                value,\n            };\n        }\n    }\n    return attributes;\n}\n/**\n * @param buffer - Buffer for the file data\n * @param recordId - Id of the unlimited dimension (also called record dimension)\n * This value may be undefined if there is no unlimited dimension\n * @param version - Version of the file\n * @return - Number of recordStep and list of variables @see {@link Variables}\n */\nfunction variablesList(buffer, recordId, version) {\n    const varList = buffer.readUint32();\n    let recordStep = 0;\n    let variables;\n    if (varList === ZERO) {\n        notNetcdf(buffer.readUint32() !== ZERO, 'wrong empty tag for list of variables');\n        return [];\n    }\n    else {\n        notNetcdf(varList !== NC_VARIABLE, 'wrong tag for list of variables');\n        // Length of variables\n        const variableSize = buffer.readUint32();\n        variables = new Array(variableSize);\n        for (let v = 0; v < variableSize; v++) {\n            // Read name\n            const name = readName(buffer);\n            // Read dimensionality of the variable\n            const dimensionality = buffer.readUint32();\n            // Index into the list of dimensions\n            const dimensionsIds = new Array(dimensionality);\n            for (let dim = 0; dim < dimensionality; dim++) {\n                dimensionsIds[dim] = buffer.readUint32();\n            }\n            // Read variables size\n            const attributes = attributesList(buffer);\n            // Read type\n            const type = buffer.readUint32();\n            notNetcdf(type < 1 && type > 6, `non valid type ${type}`);\n            // Read variable size\n            // The 32-bit varSize field is not large enough to contain the size of variables that require\n            // more than 2^32 - 4 bytes, so 2^32 - 1 is used in the varSize field for such variables.\n            const varSize = buffer.readUint32();\n            // Read offset\n            let offset = buffer.readUint32();\n            if (version === 2) {\n                notNetcdf(offset > 0, 'offsets larger than 4GB not supported');\n                offset = buffer.readUint32();\n            }\n            let record = false;\n            // Count amount of record variables\n            if (typeof recordId !== 'undefined' && dimensionsIds[0] === recordId) {\n                recordStep += varSize;\n                record = true;\n            }\n            variables[v] = {\n                name,\n                dimensions: dimensionsIds,\n                attributes,\n                type: num2str(type),\n                size: varSize,\n                offset,\n                record,\n            };\n        }\n    }\n    return {\n        variables,\n        recordStep,\n    };\n}\n//# sourceMappingURL=header.js.map","export function toString() {\n    const result = [];\n    result.push('DIMENSIONS');\n    for (const dimension of this.dimensions) {\n        result.push(`  ${dimension.name.padEnd(30)} = size: ${dimension.size}`);\n    }\n    result.push('');\n    result.push('GLOBAL ATTRIBUTES');\n    for (const attribute of this.globalAttributes) {\n        result.push(`  ${attribute.name.padEnd(30)} = ${attribute.value}`);\n    }\n    const variables = JSON.parse(JSON.stringify(this.variables));\n    result.push('');\n    result.push('VARIABLES:');\n    for (const variable of variables) {\n        variable.value = this.getDataVariable(variable);\n        let stringify = JSON.stringify(variable.value);\n        if (stringify.length > 50)\n            stringify = stringify.substring(0, 50);\n        if (!isNaN(variable.value.length)) {\n            stringify += ` (length: ${variable.value.length})`;\n        }\n        result.push(`  ${variable.name.padEnd(30)} = ${stringify}`);\n    }\n    return result.join('\\n');\n}\n//# sourceMappingURL=toString.js.map","import { IOBuffer } from 'iobuffer';\nimport { record, nonRecord } from './data';\nimport { header } from './header';\nimport { toString } from './toString';\nimport { notNetcdf } from './utils';\n/**\n * Reads a NetCDF v3.x file\n * [See specification](https://www.unidata.ucar.edu/software/netcdf/docs/file_format_specifications.html)\n * @param data - ArrayBuffer or any Typed Array (including Node.js' Buffer from v4) with the data\n * @constructor\n */\nexport class NetCDFReader {\n    constructor(data) {\n        this.toString = toString;\n        const buffer = new IOBuffer(data);\n        buffer.setBigEndian();\n        // Validate that it's a NetCDF file\n        notNetcdf(buffer.readChars(3) !== 'CDF', 'should start with CDF');\n        // Check the NetCDF format\n        const version = buffer.readByte();\n        notNetcdf(version > 2, 'unknown version');\n        // Read the header\n        this.header = header(buffer, version);\n        this.buffer = buffer;\n    }\n    /**\n     * @return - Version for the NetCDF format\n     */\n    get version() {\n        if (this.header.version === 1) {\n            return 'classic format';\n        }\n        else {\n            return '64-bit offset format';\n        }\n    }\n    /**\n     * @return {object} - Metadata for the record dimension\n     *  * `length`: Number of elements in the record dimension\n     *  * `id`: Id number in the list of dimensions for the record dimension\n     *  * `name`: String with the name of the record dimension\n     *  * `recordStep`: Number with the record variables step size\n     */\n    get recordDimension() {\n        return this.header.recordDimension;\n    }\n    /**\n     * @return - Array - List of dimensions with:\n     *  * `name`: String with the name of the dimension\n     *  * `size`: Number with the size of the dimension\n     */\n    get dimensions() {\n        return this.header.dimensions;\n    }\n    /**\n     * @return - Array - List of global attributes with:\n     *  * `name`: String with the name of the attribute\n     *  * `type`: String with the type of the attribute\n     *  * `value`: A number or string with the value of the attribute\n     */\n    get globalAttributes() {\n        return this.header.globalAttributes;\n    }\n    /**\n     * Returns the value of an attribute\n     * @param - AttributeName\n     * @return - Value of the attributeName or null\n     */\n    getAttribute(attributeName) {\n        const attribute = this.globalAttributes.find((val) => val.name === attributeName);\n        if (attribute)\n            return attribute.value;\n        return null;\n    }\n    /**\n     * Returns the value of a variable as a string\n     * @param - variableName\n     * @return - Value of the variable as a string or null\n     */\n    getDataVariableAsString(variableName) {\n        const variable = this.getDataVariable(variableName);\n        if (variable)\n            return variable.join('');\n        return null;\n    }\n    get variables() {\n        return this.header.variables;\n    }\n    /**\n     * Retrieves the data for a given variable\n     * @param variableName - Name of the variable to search or variable object\n     * @return The variable values\n     */\n    getDataVariable(variableName) {\n        let variable;\n        if (typeof variableName === 'string') {\n            // search the variable\n            variable = this.header.variables.find((val) => {\n                return val.name === variableName;\n            });\n        }\n        else {\n            variable = variableName;\n        }\n        // throws if variable not found\n        if (variable === undefined) {\n            throw new Error('Not a valid NetCDF v3.x file: variable not found');\n        }\n        // go to the offset position\n        this.buffer.seek(variable.offset);\n        if (variable.record) {\n            // record variable case\n            return record(this.buffer, variable, this.header.recordDimension);\n        }\n        else {\n            // non-record variable case\n            return nonRecord(this.buffer, variable);\n        }\n    }\n    /**\n     * Check if a dataVariable exists\n     * @param variableName - Name of the variable to find\n     * @return boolean\n     */\n    dataVariableExists(variableName) {\n        const variable = this.header.variables.find((val) => {\n            return val.name === variableName;\n        });\n        return variable !== undefined;\n    }\n    /**\n     * Check if an attribute exists\n     * @param attributeName - Name of the attribute to find\n     * @return boolean\n     */\n    attributeExists(attributeName) {\n        const attribute = this.globalAttributes.find((val) => val.name === attributeName);\n        return attribute !== undefined;\n    }\n}\n//# sourceMappingURL=parser.js.map","/* reader.toString() provides the following information\n    DIMENSIONS\n      point_number                   = size: 0\n      scan_number                    = size: 60\n      error_number                   = size: 1\n      _64_byte_string                = size: 64\n\n    GLOBAL ATTRIBUTES\n      dataset_completeness           = C1\n      ms_template_revision           = 1.0.1\n      netcdf_revision                = 4.2\n      languages                      = English\n      administrative_comments        =\n      netcdf_file_date_time_stamp    = 202003031432433600000\n      experiment_date_time_stamp     = 202003031432433600000\n      source_file_reference          = JC-012_cleavage test_Scan1_is1.datx 2020.03.03 14:32:43\n      source_file_format             = Advion ExpressIon Compact Mass Spectrometer Data System\n      source_file_date_time_stamp    = 202003031432433600000\n      experiment_title               =\n      experiment_type                = Continuum Mass Spectrum\n      test_ionization_mode           = Electrospray Ionization\n      test_ionization_polarity       = Positive Polarity\n      sample_state                   = Other State\n      test_separation_type           = No Chromatography\n      test_ms_inlet                  = Direct Inlet Probe\n      test_detector_type             = Electron Multiplier\n      test_resolution_type           = Constant Resolution\n      test_scan_function             = Mass Scan\n      test_scan_direction            = Up\n      test_scan_law                  = Linear\n      raw_data_mass_format           = Float\n      raw_data_time_format           = Double\n      raw_data_intensity_format      = Float\n      units                          = Seconds\n      global_mass_min                = 9.949999809265137\n      global_mass_max                = 1199.75\n      actual_run_time_length         = 133.46099853515625\n      starting_scan_number           = 1\n      actual_delay_time              = 0\n      raw_data_uniform_sampling_flag = 0\n\n    VARIABLES:\n      error_log                      = [\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\" (length: 64)\n      scan_index                     = [0,3096,6282,9865,13409,16765,20281,23603,27099,30 (length: 60)\n      point_count                    = [3096,3186,3583,3544,3356,3516,3322,3496,3351,3031 (length: 60)\n      flag_count                     = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 (length: 60)\n      actual_scan_number             = [0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19 (length: 60)\n      a_d_coaddition_factor          = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 60)\n      a_d_sampling_rate              = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 60)\n      inter_scan_time                = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 60)\n      mass_range_min                 = [9.949999809265137,9.949999809265137,9.94999980926 (length: 60)\n      mass_range_max                 = [164.6999969482422,169.1999969482422,189.050003051 (length: 60)\n      scan_acquisition_time          = [0.08100000023841858,2.3420000076293945,4.60300016 (length: 60)\n      scan_duration                  = [2.261000007390976,2.261000156402588,2.25999975204 (length: 60)\n      resolution                     = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 60)\n      time_range_min                 = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 60)\n      time_range_max                 = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 60)\n      total_intensity                = [4498210816,4468554240,5001547264,5405233152,50000 (length: 60)\n      mass_values                    = [9.949999809265137,83.5,83.55000305175781,83.59999 (length: 199393)\n      intensity_values               = [0,818716,462148,0,735558,952901,0,165241,421829,0 (length: 199393)\n*/\n\nexport function advionGCMS(reader) {\n  const time = reader.getDataVariable('scan_acquisition_time');\n  const tic = reader.getDataVariable('total_intensity');\n\n  // variables to get the mass-intensity values\n  let scanIndex = reader.getDataVariable('scan_index');\n  const massValues = reader.getDataVariable('mass_values');\n  const intensityValues = reader.getDataVariable('intensity_values');\n  scanIndex.push(massValues.length);\n\n  let ms = new Array(time.length);\n  let index = 0;\n  for (let i = 0; i < ms.length; i++) {\n    let size = scanIndex[i + 1] - scanIndex[i];\n    ms[i] = [new Array(size), new Array(size)];\n\n    for (let j = 0; j < size; j++) {\n      ms[i][0][j] = massValues[index];\n      ms[i][1][j] = intensityValues[index++];\n    }\n  }\n\n  return {\n    times: time,\n    series: [\n      {\n        name: 'tic',\n        dimension: 1,\n        data: tic,\n      },\n      {\n        name: 'ms',\n        dimension: 2,\n        data: ms,\n      },\n    ],\n  };\n}\n","/* reader.toString() provides the following information\n    GLOBAL ATTRIBUTES\n      dataset_completeness           = C1+C2\n      ms_template_revision           = 1.0.1\n      netcdf_revision                = 2.3.2\n      languages                      = English\n      administrative_comments        = 1% CH2Cl2\n      dataset_origin                 = Santa Clara, CA\n      netcdf_file_date_time_stamp    = 20161012052159+0200\n      experiment_title               = P071 Essence super BP\n      experiment_date_time_stamp     = 20070923040800+0200\n      operator_name                  = SC\n      external_file_ref_0            = FIRE_RTL.M\n      experiment_type                = Centroided Mass Spectrum\n      number_of_times_processed      = 1\n      number_of_times_calibrated     = 0\n      sample_state                   = Other State\n      test_separation_type           = No Chromatography\n      test_ms_inlet                  = Capillary Direct\n      test_ionization_mode           = Electron Impact\n      test_ionization_polarity       = Positive Polarity\n      test_detector_type             = Electron Multiplier\n      test_resolution_type           = Constant Resolution\n      test_scan_function             = Mass Scan\n      test_scan_direction            = Up\n      test_scan_law                  = Linear\n      raw_data_mass_format           = Float\n      raw_data_time_format           = Short\n      raw_data_intensity_format      = Float\n\n    VARIABLES:\n      error_log                      = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 64)\n      a_d_sampling_rate              = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 6401)\n      a_d_coaddition_factor          = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 6402)\n      scan_acquisition_time          = [5.25,5.84,6.428999999999999,7.019,7.609,8.199,8.7 (length: 6401)\n      scan_duration                  = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 6401)\n      inter_scan_time                = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 6401)\n      resolution                     = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 6401)\n      actual_scan_number             = [0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19 (length: 6401)\n      total_intensity                = [3134,3157,3085,3134,3093,3113,3061,3057,3030,3166 (length: 6401)\n      mass_range_min                 = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 (length: 6401)\n      mass_range_max                 = [206.89999389648438,206.89999389648438,207,207.100 (length: 6401)\n      time_range_min                 = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 6401)\n      time_range_max                 = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 6401)\n      scan_index                     = [0,11,22,33,44,55,66,76,88,99,111,122,134,145,156, (length: 6401)\n      point_count                    = [11,11,11,11,11,11,10,12,11,12,11,12,11,11,11,11,1 (length: 6401)\n      flag_count                     = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 (length: 6401)\n      mass_values                    = [16,17,18.100000381469727,28,32,35,36,38,40,44.099 (length: 157201)\n      time_values                    = [9.969209968386869e+36,9.969209968386869e+36,9.969 (length: 157201)\n      intensity_values               = [37,293,1243,737,420,45,196,72,22,35,34,28,299,123 (length: 157201)\n      instrument_name                = [\"G\",\"a\",\"s\",\" \",\"C\",\"h\",\"r\",\"o\",\"m\",\"a\",\"t\",\"o\",\" (length: 32)\n      instrument_id                  = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 32)\n      instrument_mfr                 = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 32)\n      instrument_model               = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 32)\n      instrument_serial_no           = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 32)\n      instrument_sw_version          = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 32)\n      instrument_fw_version          = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 32)\n      instrument_os_version          = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 32)\n      instrument_app_version         = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 32)\n      instrument_comments            = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 32)\n*/\n\nexport function agilentGCMS(reader) {\n  const time = reader.getDataVariable('scan_acquisition_time');\n  const tic = reader.getDataVariable('total_intensity');\n\n  // variables to get the mass-intensity values\n  const pointCount = reader.getDataVariable('point_count');\n  const massValues = reader.getDataVariable('mass_values');\n  const intensityValues = reader.getDataVariable('intensity_values');\n\n  let ms = new Array(pointCount.length);\n  let index = 0;\n  for (let i = 0; i < ms.length; i++) {\n    let size = pointCount[i];\n    ms[i] = [new Array(size), new Array(size)];\n\n    for (let j = 0; j < size; j++) {\n      ms[i][0][j] = massValues[index];\n      ms[i][1][j] = intensityValues[index++];\n    }\n  }\n\n  return {\n    times: time,\n    series: [\n      {\n        name: 'tic',\n        dimension: 1,\n        data: tic,\n      },\n      {\n        name: 'ms',\n        dimension: 2,\n        data: ms,\n      },\n    ],\n  };\n}\n","/* reader.toString() provides the following information\n    GLOBAL ATTRIBUTES\n      dataset_completeness           = C1+C2\n      aia_template_revision          = 1.0\n      netcdf_revision                = 2.3\n      languages                      = English only\n      injection_date_time_stamp      = 20181030174305+0000\n      HP_injection_time              = 30-Oct-18, 17:43:05\n      experiment_title               = SequenceLine: 1  Inj: 1\n      operator_name                  = SYSTEM\n      separation_experiment_type     = liquid chromatography\n      source_file_reference          = C:\\CHEM32\\1\\DATA\\MINGMING\\MW-1-MEO-I IC-90 2018-10-30 17-42-13\\MW-2-6-6 IC 90.D\n      sample_name                    = MW-2-6-6 IC 90\n      sample_id                      =\n      detector_unit                  = mAU\n      detection_method_name          = POS 3 IC 90-10 31 MIN.M\n      detector_name                  = DAD1 A, Sig=254,4 Ref=360,100\n      retention_unit                 = seconds\n\n   VARIABLES:\n      detector_maximum_value         = [130.9263458251953] (length: 1)\n      detector_minimum_value         = [-0.1758841574192047] (length: 1)\n      actual_run_time_length         = [1860] (length: 1)\n      actual_delay_time              = [0.012000000104308128] (length: 1)\n      actual_sampling_interval       = [0.4000000059604645] (length: 1)\n      ordinate_values                = [-0.07588416337966919,-0.07525086402893066,-0.0740 (length: 4651)\n      peak_retention_time            = [196.0651397705078,332.5663757324219,527.549865722 (length: 8)\n      peak_start_time                = [186.81199645996094,239.21200561523438,502.4119873 (length: 8)\n      peak_end_time                  = [220.81201171875,471.5176696777344,572.47869873046 (length: 8)\n      peak_width                     = [4.974428176879883,62.90694808959961,11.9328641891 (length: 8)\n      peak_area                      = [556.7650146484375,419.825439453125,66.56610107421 (length: 8)\n      peak_area_percent              = [7.0321502685546875,5.302552223205566,0.8407546877 (length: 8)\n      peak_height                    = [100.07515716552734,5.1860527992248535,4.827196121 (length: 8)\n      peak_height_percent            = [29.76352310180664,1.5423927307128906,1.4356645345 (length: 8)\n      peak_asymmetry                 = [1.4555920362472534,0.8351489901542664,1.707817316 (length: 8)\n      baseline_start_time            = [186.81199645996094,239.21200561523438,502.4119873 (length: 8)\n      baseline_start_value           = [1.9561424255371094,0.9857341647148132,1.127734780 (length: 8)\n      baseline_stop_time             = [220.81201171875,471.5176696777344,572.47869873046 (length: 8)\n      baseline_stop_value            = [1.1907591819763184,1.10896897315979,1.18347382545 (length: 8)\n      peak_start_detection_code      = [\"B\",\"\",\"B\",\"\",\"B\",\"\",\"B\",\"\",\"V\",\"\",\"B\",\"\",\"B\",\"\", (length: 16)\n      peak_stop_detection_code       = [\"B\",\"\",\"B\",\"\",\"B\",\"\",\"V\",\"\",\"B\",\"\",\"B\",\"\",\"B\",\"\", (length: 16)\n      migration_time                 = [196.0651397705078,332.5663757324219,527.549865722 (length: 8)\n      peak_area_square_root          = [23.595869064331055,20.489643096923828,8.158804893 (length: 8)\n      manually_reintegrated_peaks    = [0,0,0,0,0,0,0,0] (length: 8)\n*/\n\nexport function agilentHPLC(reader) {\n  const intensities = reader.getDataVariable('ordinate_values');\n  const numberPoints = intensities.length;\n  const detector = reader.getAttribute('detector_name');\n  let channel;\n  if (detector.match(/dad/i)) {\n    channel = `uv${Number(detector.replace(/.*Sig=(\\d+).*/, '$1'))}`;\n  } else if (detector.match(/tic/i)) {\n    channel = 'tic';\n  } else {\n    channel = 'unknown';\n  }\n  const delayTime = reader.getDataVariable('actual_delay_time')[0];\n  const runtimeLength = reader.getDataVariable('actual_run_time_length')[0];\n  let samplingInterval;\n  if (reader.dataVariableExists('actual_sampling_interval')) {\n    samplingInterval = reader.getDataVariable('actual_sampling_interval')[0];\n\n    if (\n      Math.abs(delayTime + samplingInterval * numberPoints - runtimeLength) > 3\n    ) {\n      throw new Error(\n        'The expected last time does not correspond to the runtimeLength',\n      );\n    }\n  } else {\n    samplingInterval = (runtimeLength - delayTime) / numberPoints;\n  }\n\n  let times = [];\n  let time = delayTime;\n  for (let i = 0; i < numberPoints; i++) {\n    times.push(time);\n    time += samplingInterval;\n  }\n\n  return {\n    times,\n    series: [\n      {\n        name: channel,\n        dimension: 1,\n        data: intensities,\n      },\n    ],\n  };\n}\n","export function aiaTemplate(reader) {\n  let time = [];\n  const tic = reader.getDataVariable('ordinate_values');\n\n  // variables to get the time\n  const delayTime = Number(reader.getDataVariable('actual_delay_time'));\n  const interval = Number(reader.getDataVariable('actual_sampling_interval'));\n\n  let currentTime = delayTime;\n  for (let i = 0; i < tic.length; i++) {\n    time.push(currentTime);\n    currentTime += interval;\n  }\n\n  return {\n    times: time,\n    series: [\n      {\n        name: 'tic',\n        dimension: 1,\n        data: tic,\n      },\n    ],\n  };\n}\n","/* reader.toString() provides the following information\n    GLOBAL ATTRIBUTES\n      dataset_completeness           = C1+C2\n      ms_template_revision           = 1.0.1\n      netcdf_revision                = 2.3.2\n      languages                      = English\n      netcdf_file_date_time_stamp    = 20170428032023+0000\n      experiment_title               = MS51762A16\n    11829FC03_3__60_40\n      experiment_date_time_stamp     = 20160930202145-0001\n      operator_name                  = Begemann/Eikenberg/Roettger\n      pre_experiment_program_name    = otofControl 3.4.16.0\n      post_experiment_program_name   = Bruker Compass DataAnalysis 4.2\n      source_file_reference          = X:\\2016\\MS5\\1700\\MS51762A16.d\n      source_file_format             = Bruker Daltonics Data File\n      experiment_type                = Centroided Mass Spectrum\n      sample_state                   = Other State\n      test_separation_type           = No Chromatography\n      test_ms_inlet                  = Direct Inlet Probe\n      test_ionization_mode           = Electrospray Ionization\n      test_ionization_polarity       = Positive Polarity\n      test_detector_type             = Electron Multiplier\n      test_resolution_type           = Proportional Resolution\n      test_scan_function             = Mass Scan\n      test_scan_direction            = Up\n      test_scan_law                  = Linear\n      raw_data_mass_format           = Double\n      raw_data_time_format           = Float\n      raw_data_intensity_format      = Float\n      units                          = Seconds\n      scale_factor                   = 1\n\n    VARIABLES:\n      error_log                      = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 64)\n      a_d_sampling_rate              = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 4513)\n      a_d_coaddition_factor          = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 4514)\n      scan_acquisition_time          = [0.329,0.73,1.132,1.534,1.936,2.337,2.739,3.14,3.5 (length: 4513)\n      scan_duration                  = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 4513)\n      inter_scan_time                = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 4513)\n      resolution                     = [106.6623112889557,110.7855343519544,104.407495112 (length: 4513)\n      actual_scan_number             = [0,2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34, (length: 4513)\n      total_intensity                = [5297.4945068359375,6172.123912811279,5934.7557412 (length: 4513)\n      mass_range_min                 = [49.99999997418507,49.99999997418507,49.9999999741 (length: 4513)\n      mass_range_max                 = [1599.9999564432276,1599.9999564432276,1599.999956 (length: 4513)\n      time_range_min                 = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 4513)\n      time_range_max                 = [-9999,-9999,-9999,-9999,-9999,-9999,-9999,-9999,- (length: 4513)\n      scan_index                     = [0,60,128,195,265,324,399,472,542,596,671,738,803, (length: 4513)\n      point_count                    = [60,68,67,70,59,75,73,70,54,75,67,65,64,73,56,69,6 (length: 4513)\n      flag_count                     = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 (length: 4513)\n      mass_values                    = [51.53516375878996,95.32974890044508,106.334477231 (length: 1176507)\n      intensity_values               = [76.99999237060547,80,90,78.99799346923828,80.9352 (length: 1176507)\n      instrument_name                = [\"m\",\"i\",\"c\",\"r\",\"O\",\"T\",\"O\",\"F\",\"\",\" \",\" \",\" \",\"  (length: 32)\n      instrument_id                  = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 32)\n      instrument_mfr                 = [\"B\",\"r\",\"u\",\"k\",\"e\",\"r\",\" \",\"D\",\"a\",\"l\",\"t\",\"o\",\" (length: 32)\n      instrument_model               = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 32)\n      instrument_serial_no           = [\"2\",\"1\",\"3\",\"7\",\"5\",\"0\",\".\",\"1\",\"0\",\"3\",\"5\",\"9\",\" (length: 32)\n      instrument_sw_version          = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 32)\n      instrument_fw_version          = [\"\",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\"  (length: 32)\n      instrument_os_version          = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 32)\n      instrument_app_version         = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 32)\n      instrument_comments            = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 32)\n*/\n\nexport function brukerGCMS(reader) {\n  const time = reader.getDataVariable('scan_acquisition_time');\n  const tic = reader.getDataVariable('total_intensity');\n\n  // variables to get the mass-intensity values\n  let scanIndex = reader.getDataVariable('scan_index');\n  const massValues = reader.getDataVariable('mass_values');\n  const intensityValues = reader.getDataVariable('intensity_values');\n  scanIndex.push(massValues.length);\n\n  let ms = new Array(time.length);\n  let index = 0;\n  for (let i = 0; i < ms.length; i++) {\n    let size = scanIndex[i + 1] - scanIndex[i];\n    ms[i] = [new Array(size), new Array(size)];\n\n    for (let j = 0; j < size; j++) {\n      ms[i][0][j] = massValues[index];\n      ms[i][1][j] = intensityValues[index++];\n    }\n  }\n\n  return {\n    times: time,\n    series: [\n      {\n        name: 'tic',\n        dimension: 1,\n        data: tic,\n      },\n      {\n        name: 'ms',\n        dimension: 2,\n        data: ms,\n      },\n    ],\n  };\n}\n","/* reader.toString() provides the following information\n    GLOBAL ATTRIBUTES\n      dataset_completeness           = C1+C2\n      ms_template_revision           = 1.0.1\n      administrative_comments        =\n      dataset_owner                  =\n      experiment_title               =\n      experiment_date_time_stamp     = 20150902041002+0100\n      netcdf_file_date_time_stamp    = 20151026063419+0000\n      experiment_type                = Centroided Mass Spectrum\n      netcdf_revision                = 2.3.2\n      operator_name                  = DSQ\n      source_file_reference          = G:\\FCO\\FCO_CIO\\K2\\MP2013\\T1 IL database 2013\\9. IL Data Entry\\12_HU_HIFS\\IL database\\RAW data\\Lukoil-Disel-150901.RAW\n      source_file_date_time_stamp    = 20150902041002+0100\n      source_file_format             = Finnigan\n      languages                      = English\n      external_file_ref_0            =\n      instrument_number              = 1\n      sample_prep_comments           =\n      sample_comments                = Lukoil Disel 0,5 % CS2 1 % inkt\n      test_separation_type           =\n      test_ms_inlet                  =\n      test_ionization_mode           =\n      test_ionization_polarity       = Positive Polarity\n      test_detector_type             = Conversion Dynode Electron Multiplier\n      test_scan_function             = Mass Scan\n      test_scan_direction            =\n      test_scan_law                  = Linear\n      number_of_scans                = 11832\n      raw_data_mass_format           = Double\n      raw_data_intensity_format      = Long\n      actual_run_time                = 3519.6410000000005\n      actual_delay_time              = 82.328\n      global_mass_min                = 0\n      global_mass_max                = 450\n      calibrated_mass_min            = 0\n      calibrated_mass_max            = 0\n      mass_axis_label                = M/Z\n      intensity_axis_label           = Abundance\n\n    VARIABLES:\n      error_log                      = [\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\" (length: 64)\n      instrument_name                = [\"L\",\"C\",\"Q\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\" (length: 32)\n      instrument_id                  = [\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\" (length: 32)\n      instrument_mfr                 = [\"F\",\"i\",\"n\",\"n\",\"i\",\"g\",\"a\",\"n\",\"-\",\"M\",\"A\",\"T\",\" (length: 32)\n      instrument_model               = [\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\" (length: 32)\n      instrument_sw_version          = [\"3\",\".\",\"1\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\" (length: 32)\n      instrument_os_version          = [\"W\",\"i\",\"n\",\"d\",\"o\",\"w\",\"s\",\" \",\"V\",\"i\",\"s\",\"t\",\" (length: 32)\n      scan_index                     = [0,34,74,113,145,177,211,239,267,299,341,374,400,4 (length: 11832)\n      point_count                    = [34,40,39,32,32,34,28,28,32,42,33,26,29,34,31,28,2 (length: 11832)\n      flag_count                     = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 (length: 11832)\n      a_d_sampling_rate              = [1000,1000,1000,1000,1000,1000,1000,1000,1000,1000 (length: 11832)\n      scan_acquisition_time          = [82.328,82.625,82.76599999999999,83.063,83.188,83. (length: 11832)\n      scan_duration                  = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 (length: 11832)\n      mass_range_min                 = [35,16,35,16,35,16,35,16,35,16,35,16,35,16,35,16,3 (length: 11832)\n      mass_range_max                 = [450,150,450,150,450,150,450,150,450,150,450,150,4 (length: 11832)\n      scan_type                      = [65537,65537,65537,65537,65537,65537,65537,65537,6 (length: 11832)\n      resolution                     = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 (length: 11832)\n      total_intensity                = [375220,1054339,228245,576718,58280,288629,29815,1 (length: 11832)\n      mass_values                    = [36.3023681640625,36.98402404785156,38.08326721191 (length: 1366002)\n      intensity_values               = [335,287,331,266,2423,448,9009,833,261,661,4003,21 (length: 1366002)\n\n*/\n\nexport function finniganGCMS(reader) {\n  const time = reader.getDataVariable('scan_acquisition_time');\n  const tic = reader.getDataVariable('total_intensity');\n\n  // variables to get the mass-intensity values\n  let scanIndex = reader.getDataVariable('scan_index');\n  const massValues = reader.getDataVariable('mass_values');\n  const intensityValues = reader.getDataVariable('intensity_values');\n  scanIndex.push(massValues.length);\n\n  let ms = new Array(time.length);\n  let index = 0;\n  for (let i = 0; i < ms.length; i++) {\n    let size = scanIndex[i + 1] - scanIndex[i];\n    ms[i] = [new Array(size), new Array(size)];\n\n    for (let j = 0; j < size; j++) {\n      ms[i][0][j] = massValues[index];\n      ms[i][1][j] = intensityValues[index++];\n    }\n  }\n\n  return {\n    times: time,\n    series: [\n      {\n        name: 'tic',\n        dimension: 1,\n        data: tic,\n      },\n      {\n        name: 'ms',\n        dimension: 2,\n        data: ms,\n      },\n    ],\n  };\n}\n","/* reader.toString() provides the following information\n    GLOBAL ATTRIBUTES\n      dataset_completeness           = C1+C2\n      ms_template_revision           = 1.0.1\n      netcdf_revision                = 2.3.2\n      languages                      = English\n      administrative_comments        =\n      netcdf_file_date_time_stamp    = 20180913165502+0000\n      experiment_title               =\n      experiment_date_time_stamp     = 20180910165319+0000\n      operator_name                  = Admin\n      source_file_reference          = D:\\GCMSsolution\\Data\\Chromatograms\\Cato\\bormann_CB000_Test2.qgd\n      source_file_format             = Shimadzu GCMSsolution\n      source_file_date_time_stamp    = 20180910165319+0000\n      experiment_type                = Centroided Mass Spectrum\n      sample_internal_id             =\n      sample_comments                =\n      sample_state                   = Other State\n      test_separation_type           = Gas-Solid Chromatography\n      test_ms_inlet                  = Other Probe\n      test_ionization_mode           = Electron Impact\n      test_ionization_polarity       = Positive Polarity\n      test_electron_energy           = 70\n      test_detector_type             = Electron Multiplier\n      test_resolution_type           = Constant Resolution\n      test_scan_function             = Mass Scan\n      test_scan_direction            = Up\n      test_scan_law                  = Quadratic\n      test_scan_time                 = 0\n      raw_data_mass_format           = Double\n      raw_data_time_format           = Long\n      raw_data_intensity_format      = Long\n      units                          = Seconds\n      scale_factor                   = 1\n      long_name                      = Seconds\n      starting_scan_number           = 0\n      actual_run_time_length         = 1289\n      actual_delay_time              = 0\n      raw_data_uniform_sampling_flag = 1\n\n    VARIABLES:\n      error_log                      = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 64)\n      a_d_sampling_rate              = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 (length: 3820)\n      a_d_coaddition_factor          = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 (length: 3820)\n      scan_acquisition_time          = [144,144.3,144.6,144.9,145.2,145.5,145.8,146.1,146 (length: 3820)\n      scan_duration                  = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 (length: 3820)\n      inter_scan_time                = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 (length: 3820)\n      resolution                     = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 (length: 3820)\n      actual_scan_number             = [1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,2 (length: 3820)\n      total_intensity                = [63566,61702,61873,59738,58321,59001,59364,59871,6 (length: 3820)\n      mass_range_min                 = [35,35,35,35,35,35,35,35,35,35,35,35,35,35,35,35,3 (length: 3820)\n      mass_range_max                 = [500,500,500,500,500,500,500,500,500,500,500,500,5 (length: 3820)\n      time_range_min                 = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 (length: 3820)\n      time_range_max                 = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 (length: 3820)\n      scan_index                     = [0,466,932,1398,1863,2329,2795,3260,3726,4192,4658 (length: 3820)\n      point_count                    = [466,466,466,465,466,466,465,466,466,466,466,466,4 (length: 3820)\n      flag_count                     = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 (length: 3820)\n      mass_values                    = [35,36,37.1,38.1,39.1,40.15,41.1,42.1,43.15,44.1,4 (length: 1779397)\n      intensity_values               = [26,111,412,785,3098,485,5772,7391,11213,711,687,1 (length: 1779397)\n      instrument_name                = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 32)\n      instrument_id                  = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 32)\n      instrument_mfr                 = [\"S\",\"h\",\"i\",\"m\",\"a\",\"d\",\"z\",\"u\",\" \",\"C\",\"o\",\"r\",\" (length: 32)\n      instrument_model               = [\"G\",\"C\",\"M\",\"S\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\", (length: 32)\n      instrument_serial_no           = [\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\" (length: 32)\n      instrument_sw_version          = [\"4\",\".\",\"2\",\"0\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\",\"\", (length: 32)\n      instrument_fw_version          = [\"G\",\"C\",\"M\",\"S\",\"-\",\"Q\",\"P\",\"2\",\"0\",\"1\",\"0\",\"1\",\" (length: 32)\n      instrument_os_version          = [\"W\",\"i\",\"n\",\"d\",\"o\",\"w\",\"s\",\"\",\"\",\"\",\"\",\"\",\"\",\"\", (length: 32)\n      instrument_app_version         = [\"G\",\"C\",\"M\",\"S\",\"s\",\"o\",\"l\",\"u\",\"t\",\"i\",\"o\",\"n\",\" (length: 32)\n      instrument_comments            = [\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" \",\" (length: 32)\n*/\n\nexport function shimadzuGCMS(reader) {\n  const time = reader.getDataVariable('scan_acquisition_time');\n  const tic = reader.getDataVariable('total_intensity');\n\n  // variables to get the mass-intensity values\n  let scanIndex = reader.getDataVariable('scan_index');\n  const massValues = reader.getDataVariable('mass_values');\n  const intensityValues = reader.getDataVariable('intensity_values');\n  scanIndex.push(massValues.length);\n\n  let ms = new Array(time.length);\n  let index = 0;\n  for (let i = 0; i < ms.length; i++) {\n    let size = scanIndex[i + 1] - scanIndex[i];\n    ms[i] = [new Array(size), new Array(size)];\n\n    for (let j = 0; j < size; j++) {\n      ms[i][0][j] = massValues[index];\n      ms[i][1][j] = intensityValues[index++];\n    }\n  }\n\n  return {\n    times: time,\n    series: [\n      {\n        name: 'tic',\n        dimension: 1,\n        data: tic,\n      },\n      {\n        name: 'ms',\n        dimension: 2,\n        data: ms,\n      },\n    ],\n  };\n}\n","import { NetCDFReader } from 'netcdfjs';\n\nimport { advionGCMS } from './advionGCMS';\nimport { agilentGCMS } from './agilentGCMS';\nimport { agilentHPLC } from './agilentHPLC';\nimport { aiaTemplate } from './aiaTemplate';\nimport { brukerGCMS } from './brukerGCMS';\nimport { finniganGCMS } from './finniganGCMS';\nimport { shimadzuGCMS } from './shimadzuGCMS';\n\n/**\n * Reads a NetCDF file and returns a formatted JSON with the data from it\n * @param {ArrayBuffer} data - ArrayBuffer or any Typed Array (including Node.js' Buffer from v4) with the data\n * @returns {{times, series, meta, variables}} - JSON with the time, TIC and mass spectra values\n */\nexport function netcdfGcms(data) {\n  let reader = new NetCDFReader(data);\n  const globalAttributes = reader.globalAttributes;\n\n  const instrument_mfr =\n    reader.dataVariableExists('instrument_mfr') &&\n    reader.getDataVariableAsString('instrument_mfr');\n  const dataset_origin = reader.attributeExists('dataset_origin');\n  const mass_values = reader.dataVariableExists('mass_values');\n  const detector_name = reader.getAttribute('detector_name');\n  const aia_template_revision = reader.attributeExists('aia_template_revision');\n  const source_file_format = reader.getAttribute('source_file_format');\n\n  let result;\n\n  if (mass_values && dataset_origin) {\n    result = agilentGCMS(reader);\n  } else if (\n    mass_values &&\n    instrument_mfr &&\n    instrument_mfr.match(/finnigan/i)\n  ) {\n    result = finniganGCMS(reader);\n  } else if (mass_values && instrument_mfr && instrument_mfr.match(/bruker/i)) {\n    result = brukerGCMS(reader);\n  } else if (\n    mass_values &&\n    source_file_format &&\n    source_file_format.match(/shimadzu/i)\n  ) {\n    result = shimadzuGCMS(reader);\n  } else if (\n    mass_values &&\n    source_file_format &&\n    source_file_format.match(/advion/i)\n  ) {\n    result = advionGCMS(reader);\n  } else if (detector_name && detector_name.match(/(dad|tic)/i)) {\n    // diode array agilent HPLC\n    result = agilentHPLC(reader);\n  } else if (aia_template_revision) {\n    result = aiaTemplate(reader);\n  } else {\n    throw new TypeError('Unknown file format');\n  }\n\n  result.meta = addMeta(globalAttributes);\n  result.variables = addVariables(reader);\n\n  return result;\n}\n\n/**\n * Reads a NetCDF file with Agilent GCMS format and returns a formatted JSON with the data from it\n * @param {ArrayBuffer} data - ArrayBuffer or any Typed Array (including Node.js' Buffer from v4) with the data\n * @returns {{times, series}} - JSON with the time, TIC and mass spectra values\n */\nexport function fromAgilentGCMS(data) {\n  return agilentGCMS(new NetCDFReader(data));\n}\n\n/**\n * Reads a NetCDF file with Agilent HPLC format and returns a formatted JSON with the data from it\n * @param {ArrayBuffer} data - ArrayBuffer or any Typed Array (including Node.js' Buffer from v4) with the data\n * @returns {{times, series}} - JSON with the time, TIC and mass spectra values\n */\nexport function fromAgilentHPLC(data) {\n  return agilentHPLC(new NetCDFReader(data));\n}\n\n/**\n * Reads a NetCDF file with Finnigan format and returns a formatted JSON with the data from it\n * @param {ArrayBuffer} data - ArrayBuffer or any Typed Array (including Node.js' Buffer from v4) with the data\n * @returns {{times, series}} - JSON with the time, TIC and mass spectra values\n */\nexport function fromFinniganGCMS(data) {\n  return finniganGCMS(new NetCDFReader(data));\n}\n\nexport function fromAiaTemplate(data) {\n  return aiaTemplate(new NetCDFReader(data));\n}\n\nfunction addMeta(globalAttributes) {\n  let meta = {};\n  for (const item of globalAttributes) {\n    meta[item.name] = item.value;\n  }\n  return meta;\n}\n\nfunction addVariables(reader) {\n  for (let variable of reader.variables) {\n    variable.value = reader.getDataVariable(variable);\n  }\n  return reader.variables;\n}\n","import { netcdfGcms } from 'netcdf-gcms';\n\nimport { fromJSON } from '../Chromatogram';\n\nexport function fromNetCDF(netcdf) {\n  return fromJSON(netcdfGcms(netcdf));\n}\n","import { parseString } from 'dynamic-typing';\nconst utf8Decoder = new TextDecoder();\nexport const decoder = {\n    decode: (array) => {\n        return utf8Decoder.decode(array);\n    },\n};\nexport const defaultOptions = {\n    trimValues: true,\n    attributesNodeName: '',\n    ignoreAttributes: false,\n    ignoreNameSpace: false,\n    allowBooleanAttributes: false,\n    parseAttributesString: true,\n    textNodeName: '#text',\n    arrayMode: false,\n    cdataTagName: false,\n    tagNameProcessor: (name) => name,\n    attributeNameProcessor: (name) => `$${name}`,\n    tagValueProcessor: (value) => {\n        const string = decoder.decode(value).replaceAll('\\r', '');\n        return parseString(string);\n    },\n    attributeValueProcessor: (value) => parseString(value),\n    stopNodes: [],\n};\nexport const defaultStreamOptions = {\n    ...defaultOptions,\n    maxEntrySize: 1e7,\n    maxBufferSize: 2e8,\n};\n//# sourceMappingURL=defaultOptions.js.map","export class XMLNode {\n    tagName;\n    parent;\n    children;\n    attributes;\n    bytes;\n    startIndex;\n    tagValueProcessor;\n    cachedValue;\n    constructor(tagName, parent, bytes, tagValueProcessor) {\n        this.tagName = tagName;\n        this.parent = parent;\n        this.children = Object.create(null); //child tags\n        this.attributes = Object.create(null); //attributes map\n        this.bytes = bytes; //text only\n        this.tagValueProcessor = tagValueProcessor;\n        this.startIndex = -1;\n    }\n    append(toAppend) {\n        if (this.bytes.length === 0) {\n            this.bytes = toAppend;\n            return;\n        }\n        const arrayConcat = new Uint8Array(this.bytes.length + toAppend.length);\n        arrayConcat.set(this.bytes);\n        arrayConcat.set(toAppend, this.bytes.length);\n        this.bytes = arrayConcat;\n    }\n    get value() {\n        if (this.cachedValue === undefined) {\n            const value = this.tagValueProcessor(this.bytes, this);\n            this.cachedValue = value;\n        }\n        return this.cachedValue;\n    }\n    addChild(child) {\n        if (Array.isArray(this.children[child.tagName])) {\n            //already presents\n            this.children[child.tagName].push(child);\n        }\n        else {\n            this.children[child.tagName] = [child];\n        }\n    }\n}\n//# sourceMappingURL=XMLNode.js.map","export function arrayIndexOf(array, referenceArray, index = 0) {\n    let found = 0;\n    let foundIndex = -1;\n    for (let i = index; i < array.length && found < referenceArray.length; i++) {\n        if (array[i] === referenceArray[found]) {\n            if (!found) {\n                foundIndex = i;\n            }\n            found++;\n        }\n        else if (found > 0) {\n            let j = 0;\n            for (; j <= found && array[foundIndex + j] === array[foundIndex + found]; j++)\n                ;\n            if (j < found + 1) {\n                foundIndex = -1;\n                found = 0;\n            }\n            else {\n                foundIndex++;\n            }\n        }\n        else {\n            found = 0;\n            foundIndex = -1;\n        }\n    }\n    if (found !== referenceArray.length) {\n        foundIndex = -1;\n    }\n    return foundIndex;\n}\n//# sourceMappingURL=arrayIndexOf.js.map","/* eslint-disable @typescript-eslint/no-unused-vars */\nexport function arrayTrim(array, arg) {\n    let i = 0;\n    let j = array.length - 1;\n    for (; i < array.length && array[i] <= 0x20; i++)\n        ;\n    for (; j >= i && array[j] <= 0x20; j--)\n        ;\n    if (i === 0 && j === array.length - 1)\n        return array;\n    return array.subarray(i, j + 1);\n}\n//# sourceMappingURL=arrayTrim.js.map","const utf8Decoder = new TextDecoder();\nexport const decoder = {\n    decode: (array) => {\n        return utf8Decoder.decode(array);\n    },\n};\n//# sourceMappingURL=utf8Decoder.js.map","import { decoder } from './utils/utf8Decoder';\n/**\n * Search for the corresponding closing tag '>'\n * @param data\n * @param i\n * @returns\n */\nexport function closingIndexForOpeningTag(data, i) {\n    let attrBoundary;\n    let endIndex = 0;\n    for (let index = i; index < data.length; index++) {\n        let byte = data[index];\n        if (attrBoundary) {\n            if (byte === attrBoundary)\n                attrBoundary = 0; //reset\n        }\n        else if (byte === 0x22 || byte === 0x27) {\n            attrBoundary = byte;\n        }\n        else if (byte === 0x3e) {\n            return {\n                data: decoder.decode(data.subarray(i, i + endIndex)),\n                index,\n            };\n        }\n        else if (byte === 0x09) {\n            byte = 0x20;\n        }\n        endIndex++;\n    }\n    throw new Error('Could not find closing tag');\n}\n//# sourceMappingURL=closingIndexForOpeningTag.js.map","import { arrayIndexOf } from '../bufferUtils/arrayIndexOf';\nexport function findClosingIndex(xmlData, str, i, errMsg) {\n    const closingIndex = arrayIndexOf(xmlData, str, i);\n    if (closingIndex === -1) {\n        throw new Error(errMsg);\n    }\n    else {\n        return closingIndex + str.length - 1;\n    }\n}\n//# sourceMappingURL=findClosingIndex.js.map","const nameStartChar = String.raw `:A-Za-z_\\u00C0-\\u00D6\\u00D8-\\u00F6\\u00F8-\\u02FF\\u0370-\\u037D\\u037F-\\u1FFF\\u200C-\\u200D\\u2070-\\u218F\\u2C00-\\u2FEF\\u3001-\\uD7FF\\uF900-\\uFDCF\\uFDF0-\\uFFFD`;\nconst nameChar = `${nameStartChar}\\\\-.\\\\d\\\\u00B7\\\\u0300-\\\\u036F\\\\u203F-\\\\u2040`;\nconst nameRegexp = `[${nameStartChar}][${nameChar}]*`;\n// eslint-disable-next-line no-misleading-character-class\nconst regexName = new RegExp(`^${nameRegexp}$`);\nexport function getAllMatches(string, regex) {\n    return Array.from(string.matchAll(regex));\n}\nexport function isName(string) {\n    return regexName.exec(string) !== null;\n}\nexport function isEmptySimpleObject(object) {\n    // fastest implementation: https://jsbench.me/qfkqv692c8/1\n    // eslint-disable-next-line no-unreachable-loop\n    for (const key in object) {\n        return false;\n    }\n    return true;\n}\nexport function isEmptyObject(object) {\n    // fastest implementation: https://jsbench.me/qfkqv692c8/1\n    // eslint-disable-next-line no-unreachable-loop\n    for (const key in object) {\n        return false;\n    }\n    return true;\n}\n/**\n * Copy all the properties of a into b.\n * @param target\n * @param source\n * @param arrayMode\n */\nexport function merge(target, source, arrayMode) {\n    if (!source)\n        return;\n    for (const key in source) {\n        if (arrayMode === 'strict') {\n            target[key] = [source[key]];\n        }\n        else {\n            target[key] = source[key];\n        }\n    }\n}\n/**\n * Check if a tag name should be treated as array\n * @param tagName - the node tagName\n * @param arrayMode - the array mode option\n * @param parentTagName - the parent tag name\n * @returns true if node should be parsed as array\n */\nexport function isTagNameInArrayMode(tagName, arrayMode, parentTagName) {\n    if (arrayMode === false) {\n        return false;\n    }\n    else if (arrayMode instanceof RegExp) {\n        return arrayMode.test(tagName);\n    }\n    else if (typeof arrayMode === 'function') {\n        return !!arrayMode(tagName, parentTagName);\n    }\n    return arrayMode === 'strict';\n}\n//# sourceMappingURL=util.js.map","import { getAllMatches, isEmptySimpleObject } from '../util';\nconst newLocal = String.raw `([^\\s=]+)\\s*(=\\s*(['\"])(.*?)\\3)?`;\nconst attrsRegx = new RegExp(newLocal, 'g');\n//Attributes are strings so no point in using arrayBuffers here\nexport function parseAttributesString(string, options) {\n    const { ignoreAttributes } = options;\n    if (ignoreAttributes) {\n        return;\n    }\n    string = string.replaceAll(/\\r?\\n/g, ' ');\n    const matches = getAllMatches(string, attrsRegx);\n    // argument 1 is the key, argument 4 is the value\n    const attributes = {};\n    for (const match of matches) {\n        const attributeName = resolveNameSpace(match[1], options);\n        if (attributeName.length > 0) {\n            if (match[4] !== undefined) {\n                if (options.trimValues) {\n                    match[4] = match[4].trim();\n                }\n                if (options.attributeValueProcessor) {\n                    attributes[attributeName] = options.attributeValueProcessor(match[4], attributeName);\n                }\n            }\n            else if (options.allowBooleanAttributes) {\n                attributes[attributeName] = true;\n            }\n        }\n    }\n    if (isEmptySimpleObject(attributes))\n        return;\n    return attributes;\n}\nfunction resolveNameSpace(tagName, options) {\n    if (options.ignoreNameSpace) {\n        const tags = tagName.split(':');\n        const prefix = tagName.startsWith('/') ? '/' : '';\n        if (tags[0] === 'xmlns') {\n            return '';\n        }\n        if (tags.length === 2) {\n            tagName = prefix + tags[1];\n        }\n    }\n    return tagName;\n}\n//# sourceMappingURL=parseAttributesString.js.map","export function removeNameSpaceIfNeeded(tagName, options) {\n    if (!options.ignoreNameSpace) {\n        return tagName;\n    }\n    const colonIndex = tagName.indexOf(':');\n    if (colonIndex !== -1) {\n        tagName = tagName.slice(colonIndex + 1);\n    }\n    return tagName;\n}\n//# sourceMappingURL=removeNameSpaceIfNeeded.js.map","import { XMLNode } from '../XMLNode';\nimport { arrayIndexOf } from '../bufferUtils/arrayIndexOf';\nimport { arrayTrim } from '../bufferUtils/arrayTrim';\nimport { closingIndexForOpeningTag } from './closingIndexForOpeningTag';\nimport { findClosingIndex } from './findClosingIndex';\nimport { parseAttributesString } from './parseAttributesString';\nimport { removeNameSpaceIfNeeded } from './utils/removeNameSpaceIfNeeded';\nimport { decoder } from './utils/utf8Decoder';\nexport function getTraversable(xmlData, options) {\n    const { tagValueProcessor } = options;\n    const traversable = new XMLNode('!xml', undefined, new Uint8Array(0), tagValueProcessor);\n    let currentNode = traversable;\n    let dataSize = 0;\n    let dataIndex = 0;\n    for (let i = 0; i < xmlData.length; i++) {\n        if (xmlData[i] === 0x3c) {\n            // <\n            const xmlData1 = xmlData[i + 1];\n            const xmlData2 = xmlData[i + 2];\n            if (xmlData1 === 0x2f) {\n                // </ Closing Tag\n                const closeIndex = findClosingIndex(xmlData, [0x3e], //>\n                i, 'Closing Tag is not closed.');\n                let tagName = decoder.decode(arrayTrim(xmlData.subarray(i + 2, closeIndex), {}));\n                tagName = removeNameSpaceIfNeeded(tagName, options);\n                if (currentNode) {\n                    currentNode.append(options.trimValues\n                        ? arrayTrim(xmlData.subarray(dataIndex, dataIndex + dataSize))\n                        : xmlData.subarray(dataIndex, dataIndex + dataSize));\n                }\n                if (options.stopNodes?.length &&\n                    options.stopNodes.includes(currentNode.tagName)) {\n                    currentNode.children = {};\n                    if (currentNode.attributes === undefined) {\n                        currentNode.attributes = {};\n                    }\n                    currentNode.bytes = xmlData.subarray(currentNode.startIndex + 1, i);\n                }\n                currentNode = currentNode.parent;\n                i = closeIndex;\n                dataSize = 0;\n                dataIndex = i + 1;\n            }\n            else if (xmlData1 === 0x3f) {\n                // <? PI, processing instruction\n                i = findClosingIndex(xmlData, [0x3f, 0x3e], i, 'Pi Tag is not closed.');\n            }\n            else if (\n            //!-- comment\n            xmlData1 === 0x21 &&\n                xmlData2 === 0x2d &&\n                xmlData[i + 3] === 0x2d) {\n                i = findClosingIndex(xmlData, [0x2d, 0x2d, 0x3e], //-->\n                i, 'Comment is not closed.');\n                if (currentNode && dataSize !== 0 && currentNode.tagName !== '!xml') {\n                    currentNode.append(options.trimValues\n                        ? arrayTrim(xmlData.subarray(dataIndex, dataSize + dataIndex))\n                        : xmlData.subarray(dataIndex, dataSize + dataIndex));\n                }\n                dataSize = 0;\n                dataIndex = i + 1;\n                //!D\n            }\n            else if (xmlData1 === 0x21 && xmlData2 === 0x44) {\n                // <!D\n                const closeIndex = findClosingIndex(xmlData, [0x3e], //>\n                i, 'DOCTYPE is not closed.');\n                const tagExp = xmlData.subarray(i, closeIndex);\n                if (arrayIndexOf(tagExp, [0x5b]) >= 0) {\n                    i = arrayIndexOf(xmlData, [0x5d, 0x3e], i) + 1;\n                }\n                else {\n                    i = closeIndex;\n                } //![\n            }\n            else if (xmlData1 === 0x21 && xmlData2 === 0x5b) {\n                // <![CDATA[some stuff]]>\n                const closeIndex = findClosingIndex(xmlData, [0x5d, 0x5d, 0x3e], //]]>\n                i, 'CDATA is not closed.') - 2;\n                const tagExp = xmlData.subarray(i + 9, closeIndex);\n                //considerations\n                //1. CDATA will always have parent node\n                //2. A tag with CDATA is not a leaf node so it's value would be string type.\n                if (dataSize !== 0) {\n                    const value = options.trimValues\n                        ? arrayTrim(xmlData.subarray(dataIndex, dataIndex + dataSize))\n                        : xmlData.subarray(dataIndex, dataIndex + dataSize);\n                    currentNode.append(value);\n                }\n                if (options.cdataTagName) {\n                    //add cdata node\n                    const childNode = new XMLNode(options.cdataTagName, currentNode, tagExp, tagValueProcessor);\n                    currentNode.addChild(childNode);\n                    //add rest value to parent node\n                    if (tagExp) {\n                        childNode.bytes = tagExp;\n                    }\n                }\n                else {\n                    currentNode.append(tagExp);\n                }\n                i = closeIndex + 2;\n                dataSize = 0;\n                dataIndex = i + 1;\n            }\n            else {\n                //Opening a normal tag\n                const parsedOpeningTag = closingIndexForOpeningTag(xmlData, i + 1);\n                const tagData = parsedOpeningTag.data.replaceAll(/\\r?\\n|\\t/g, ' ');\n                const closeIndex = parsedOpeningTag.index;\n                const separatorIndex = tagData.indexOf(' ');\n                let shouldBuildAttributesMap = true;\n                let tagName = separatorIndex !== -1\n                    ? tagData.slice(0, Math.max(0, separatorIndex)).replace(/\\s+$/, '')\n                    : tagData;\n                let tagAttributes = separatorIndex !== -1 ? tagData.slice(separatorIndex + 1) : '';\n                if (options.ignoreNameSpace) {\n                    const colonIndex = tagName.indexOf(':');\n                    if (colonIndex !== -1) {\n                        tagName = tagName.slice(colonIndex + 1);\n                        shouldBuildAttributesMap =\n                            tagName !== parsedOpeningTag.data.slice(colonIndex + 1);\n                    }\n                }\n                //save text to parent node\n                if (currentNode && dataSize !== 0 && currentNode.tagName !== '!xml') {\n                    currentNode.append(options.trimValues\n                        ? arrayTrim(xmlData.subarray(dataIndex, dataIndex + dataSize))\n                        : xmlData.subarray(dataIndex, dataIndex + dataSize));\n                }\n                if (tagData.length > 0 && tagData.endsWith('/')) {\n                    //selfClosing tag\n                    if (tagAttributes) {\n                        // <abc def=\"123\"/>\n                        tagAttributes = tagAttributes.slice(0, Math.max(0, tagAttributes.length - 1));\n                    }\n                    else {\n                        // <abc/>\n                        tagName = tagName.slice(0, Math.max(0, tagName.length - 1));\n                    }\n                    const childNode = new XMLNode(tagName, currentNode, new Uint8Array(0), tagValueProcessor);\n                    if (tagAttributes) {\n                        childNode.attributes = parseAttributesString(tagAttributes, options);\n                    }\n                    currentNode.addChild(childNode);\n                }\n                else {\n                    //opening tag\n                    const childNode = new XMLNode(tagName, currentNode, new Uint8Array(0), tagValueProcessor);\n                    if (options.stopNodes?.length &&\n                        options.stopNodes.includes(childNode.tagName)) {\n                        childNode.startIndex = closeIndex;\n                    }\n                    if (tagAttributes && shouldBuildAttributesMap) {\n                        childNode.attributes = parseAttributesString(tagAttributes, options);\n                    }\n                    currentNode.addChild(childNode);\n                    currentNode = childNode;\n                }\n                i = closeIndex;\n                dataSize = 0;\n                dataIndex = i + 1;\n            }\n        }\n        else {\n            dataSize++;\n        }\n    }\n    return traversable;\n}\n//# sourceMappingURL=getTraversable.js.map","import { isTagNameInArrayMode, merge, isEmptyObject, isEmptySimpleObject, } from './util';\n/**\n *\n * @param node\n * @param options\n * @param parentTagName\n * @returns\n */\nexport function traversableToJSON(node, options, parentTagName) {\n    const { arrayMode, tagNameProcessor, attributeNameProcessor, textNodeName } = options;\n    const result = {};\n    // when no child node or attr is present\n    if ((!node.children || isEmptyObject(node.children)) &&\n        (!node.attributes || isEmptySimpleObject(node.attributes))) {\n        return node.value;\n    }\n    // otherwise create a textnode if node has some text\n    if (node.bytes.length > 0) {\n        const asArray = isTagNameInArrayMode(node.tagName, arrayMode, parentTagName);\n        result[textNodeName] = asArray ? [node.value] : node.value;\n    }\n    if (node.attributes && !isEmptySimpleObject(node.attributes)) {\n        let attributes = options.parseAttributesString ? {} : node.attributes;\n        if (attributeNameProcessor) {\n            // need to rename the attributes\n            const renamedAttributes = {};\n            for (const attributeName in node.attributes) {\n                const newAttributeName = attributeNameProcessor(attributeName);\n                renamedAttributes[newAttributeName] = node.attributes[attributeName];\n            }\n            attributes = renamedAttributes;\n        }\n        if (options.attributesNodeName) {\n            const encapsulatedAttributes = {};\n            encapsulatedAttributes[options.attributesNodeName] = attributes;\n            attributes = encapsulatedAttributes;\n        }\n        //@ts-expect-error Should fix this type issue\n        merge(result, attributes, arrayMode);\n    }\n    for (const tagName in node.children) {\n        const newTagName = tagNameProcessor ? tagNameProcessor(tagName) : tagName;\n        if (node.children[tagName] && node.children[tagName].length > 1) {\n            result[tagName] = [];\n            // eslint-disable-next-line @typescript-eslint/no-for-in-array\n            for (const tag in node.children[tagName]) {\n                if (Object.hasOwn(node.children[tagName], tag)) {\n                    result[newTagName].push(traversableToJSON(node.children[tagName][tag], options, tagName));\n                }\n            }\n        }\n        else {\n            const subResult = traversableToJSON(node.children[tagName][0], options, tagName);\n            const asArray = (arrayMode === true && typeof subResult === 'object') ||\n                isTagNameInArrayMode(tagName, arrayMode, parentTagName);\n            result[newTagName] = asArray ? [subResult] : subResult;\n        }\n    }\n    return result;\n}\n//# sourceMappingURL=traversableToJSON.js.map","import { defaultOptions } from './traversable/defaultOptions';\nimport { getTraversable } from './traversable/getTraversable';\nimport { traversableToJSON } from './traversableToJSON';\n/**\n * Parse an ArrayBuffer or Uint8Array representing an XML and return an object\n * @param xmlData\n * @param options\n */\nexport function parse(xmlData, options = {}) {\n    if (typeof xmlData === 'string') {\n        const encoder = new TextEncoder();\n        xmlData = encoder.encode(xmlData);\n    }\n    if (!ArrayBuffer.isView(xmlData)) {\n        xmlData = new Uint8Array(xmlData);\n    }\n    const realOptions = { ...defaultOptions, ...options };\n    const traversable = getTraversable(xmlData, realOptions);\n    return traversableToJSON(traversable, realOptions);\n}\n//# sourceMappingURL=parse.js.map","const base64codes = Uint8Array.from([\n    255, 255, 255, 255, 255, 255, 255, 255, 255, 255, 255, 255, 255, 255, 255,\n    255, 255, 255, 255, 255, 255, 255, 255, 255, 255, 255, 255, 255, 255, 255,\n    255, 255, 255, 255, 255, 255, 255, 255, 255, 255, 255, 255, 255, 62, 255, 255,\n    255, 63, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 255, 255, 255, 0, 255, 255,\n    255, 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20,\n    21, 22, 23, 24, 25, 255, 255, 255, 255, 255, 255, 26, 27, 28, 29, 30, 31, 32,\n    33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51,\n]);\n/**\n * Convert a Uint8Array containing a base64 encoded bytes to a Uint8Array containing decoded values\n * @returns a Uint8Array containing the decoded bytes\n */\nexport function decode(input) {\n    if (!ArrayBuffer.isView(input)) {\n        input = new Uint8Array(input);\n    }\n    if (input.length % 4 !== 0) {\n        throw new Error('Unable to parse base64 string.');\n    }\n    let output = new Uint8Array(3 * (input.length / 4));\n    if (input.length === 0)\n        return output;\n    const missingOctets = input[input.length - 2] === 61 ? 2 : input[input.length - 1] === 61 ? 1 : 0;\n    for (let i = 0, j = 0; i < input.length; i += 4, j += 3) {\n        const buffer = (base64codes[input[i]] << 18) |\n            (base64codes[input[i + 1]] << 12) |\n            (base64codes[input[i + 2]] << 6) |\n            base64codes[input[i + 3]];\n        output[j] = buffer >> 16;\n        output[j + 1] = (buffer >> 8) & 0xff;\n        output[j + 2] = buffer & 0xff;\n    }\n    return output.subarray(0, output.length - missingOctets);\n}\n//# sourceMappingURL=decode.js.map","export async function inflate(zlibCompressedData) {\n  const inputStream = new ReadableStream({\n    start(controller) {\n      controller.enqueue(zlibCompressedData);\n      controller.close();\n    },\n  });\n\n  const decompressedStream = inputStream.pipeThrough(\n    new DecompressionStream('deflate'),\n  );\n\n  const reader = decompressedStream.getReader();\n  const chunks = [];\n  let totalLength = 0;\n\n  while (true) {\n    // eslint-disable-next-line no-await-in-loop\n    const { value, done } = await reader.read();\n    if (done) break;\n    chunks.push(value);\n    totalLength += value.length;\n  }\n\n  // Combine chunks into a single Uint8Array\n  const decompressedData = new Uint8Array(totalLength);\n  let offset = 0;\n  for (const chunk of chunks) {\n    decompressedData.set(chunk, offset);\n    offset += chunk.length;\n  }\n\n  return decompressedData;\n}\n","import { decode } from 'uint8-base64';\n\nimport { inflate } from './inflate.js';\n\nexport async function decodeBase64(base64, options = {}) {\n  let {\n    endian = 'little',\n    precision,\n    float = true,\n    compression = '',\n    ontologies,\n  } = options;\n\n  if (ontologies) {\n    if (ontologies.includes('MS:1000519')) {\n      precision = 32;\n      float = false;\n    }\n    if (ontologies.includes('MS:1000520')) precision = 16;\n    if (ontologies.includes('MS:1000521')) precision = 32;\n    if (ontologies.includes('MS:1000522')) {\n      float = false;\n      precision = 64;\n    }\n    if (ontologies.includes('MS:1000523')) precision = 64;\n    if (ontologies.includes('MS:1000574')) compression = 'zlib';\n  }\n\n  let uint8Array = decode(base64);\n  switch (compression.toLowerCase()) {\n    case 'zlib':\n      uint8Array = await inflate(uint8Array);\n      break;\n    case '':\n    case 'none':\n      break;\n    default:\n      throw new Error(`Unknown compression algorithm: ${compression}`);\n  }\n\n  switch (endian.toLowerCase()) {\n    case 'little':\n      break;\n    case 'network':\n    case 'big':\n      {\n        // we will invert in place the data\n        let step;\n        switch (precision) {\n          case 32:\n            step = 4;\n            break;\n          case 64:\n            step = 8;\n            break;\n          default:\n            throw new Error('Can not process bigendian file');\n        }\n        for (\n          let i = 0;\n          i < uint8Array.length - (uint8Array.length % step);\n          i += step\n        ) {\n          for (let j = 0; j < step / 2; j++) {\n            const temp = uint8Array[i + j];\n            uint8Array[i + j] = uint8Array[i + step - 1 - j];\n            uint8Array[i + step - 1 - j] = temp;\n          }\n        }\n      }\n      break;\n    default:\n      throw new TypeError(`Attributes endian not correct: ${endian}`);\n  }\n\n  /*\n       We should take care that the length of the Uint8Array is correct but the buffer\n       may be a little bit bigger because when decoding base 64 it may end with = or ==\n       and we plan the size in the buffer.\n      */\n  if (float) {\n    switch (precision) {\n      case 32:\n        return new Float32Array(uint8Array.buffer, 0, uint8Array.length / 4);\n      case 64:\n        return new Float64Array(uint8Array.buffer, 0, uint8Array.length / 8);\n      default:\n        throw new TypeError(`Incorrect precision: ${precision}`);\n    }\n  } else {\n    switch (precision) {\n      case 32:\n        return new Int32Array(uint8Array.buffer, 0, uint8Array.length / 4);\n      case 64:\n        return new BigInt64Array(uint8Array.buffer, 0, uint8Array.length / 8);\n      default:\n        throw new TypeError(`Incorrect precision: ${precision}`);\n    }\n  }\n}\n","export function parseCvParam(cvParam) {\n  let result = {};\n  if (!cvParam) return result;\n  let cvParams;\n  if (Array.isArray(cvParam)) {\n    cvParams = cvParam;\n  } else {\n    cvParams = [cvParam];\n  }\n  for (let param of cvParams) {\n    let attributes = param.attributes;\n    if (attributes.name) {\n      result[attributes.name.toLowerCase()] = {\n        accession: attributes.accession,\n        cvLabel: attributes.cvLabel,\n        value: attributes.value,\n        name: attributes.name,\n      };\n    }\n  }\n  return result;\n}\n","import { parseCvParam } from './parseCvParam.js';\n\nexport function processMetadata(parsed, metadata) {\n  if (!parsed || !parsed.description) return;\n  let description = parsed.description;\n  if (description.dataProcessing) {\n    let dataProcessing = description.dataProcessing;\n    if (dataProcessing.software && dataProcessing.software.name) {\n      metadata.software = dataProcessing.software.name;\n    }\n  }\n  if (description.instrument) {\n    let instrument = description.instrument;\n    if (instrument.analyzerList && instrument.analyzerList.analyzer) {\n      let analyzer = instrument.analyzerList.analyzer;\n      let cvParam = parseCvParam(analyzer.cvParam);\n      if (cvParam.analyzertype) {\n        metadata.analyzer = cvParam.analyzertype.value;\n      }\n    }\n    if (instrument.detector) {\n      let detector = instrument.detector;\n      let cvParam = parseCvParam(detector.cvParam);\n      if (cvParam.detectortype) {\n        metadata.detector = cvParam.detectortype.value;\n      }\n    }\n  }\n}\n","import { parseCvParam } from './parseCvParam';\n\nexport function processSpectrumList(parsed, times, msData) {\n  if (!parsed || !parsed.spectrumList || !parsed.spectrumList.spectrum) return;\n  let spectrumList = parsed.spectrumList.spectrum;\n  for (let spectrum of spectrumList) {\n    let info = parseCvParam(\n      spectrum.spectrumDesc.spectrumSettings.spectrumInstrument.cvParam,\n    );\n\n    times.push(info.timeinminutes.value);\n\n    let mzArray = spectrum.mzArrayBinary.data['#text'] || [];\n    let intensity = spectrum.intenArrayBinary.data['#text'] || [];\n    msData.push([mzArray, intensity]);\n  }\n}\n","import { parse } from 'arraybuffer-xml-parser';\nimport { recursiveResolve } from 'ml-spectra-processing';\n\nimport { decodeBase64 } from '../util/decodeBase64';\n\nimport { processMetadata } from './processMetaData';\nimport { processSpectrumList } from './processSpectrumList';\n\nconst decoder = new TextDecoder();\n\n/**\n *\n * @param {*} arrayBuffer\n * @param {import('../Options.js').Options} [options={}]\n * @returns\n */\nexport async function parseMzData(arrayBuffer, options = {}) {\n  const { logger = console } = options;\n  const result = {\n    metadata: {},\n    times: [],\n    series: {\n      ms: {\n        data: [],\n      },\n    },\n  };\n\n  let parsed = parse(arrayBuffer, {\n    attributesNodeName: 'attributes',\n    attributeNameProcessor: (attributeName) => attributeName,\n    tagValueProcessor: (value, node) => {\n      if (node.tagName !== 'data') return decoder.decode(value);\n      const promise = decodeBase64(node.bytes, node.attributes);\n      // avoid unhandled promise rejection and swallow the error\n      promise.catch((error) => {\n        logger.error('error decoding base64', error);\n        return [];\n      });\n      return promise;\n    },\n  });\n  await recursiveResolve(parsed);\n  processMetadata(parsed.mzData, result.metadata);\n  processSpectrumList(parsed.mzData, result.times, result.series.ms.data);\n\n  return result;\n}\n","'use strict';\n\nconst UPPERCASE = /[\\p{Lu}]/u;\nconst LOWERCASE = /[\\p{Ll}]/u;\nconst LEADING_CAPITAL = /^[\\p{Lu}](?![\\p{Lu}])/gu;\nconst IDENTIFIER = /([\\p{Alpha}\\p{N}_]|$)/u;\nconst SEPARATORS = /[_.\\- ]+/;\n\nconst LEADING_SEPARATORS = new RegExp('^' + SEPARATORS.source);\nconst SEPARATORS_AND_IDENTIFIER = new RegExp(SEPARATORS.source + IDENTIFIER.source, 'gu');\nconst NUMBERS_AND_IDENTIFIER = new RegExp('\\\\d+' + IDENTIFIER.source, 'gu');\n\nconst preserveCamelCase = (string, toLowerCase, toUpperCase) => {\n\tlet isLastCharLower = false;\n\tlet isLastCharUpper = false;\n\tlet isLastLastCharUpper = false;\n\n\tfor (let i = 0; i < string.length; i++) {\n\t\tconst character = string[i];\n\n\t\tif (isLastCharLower && UPPERCASE.test(character)) {\n\t\t\tstring = string.slice(0, i) + '-' + string.slice(i);\n\t\t\tisLastCharLower = false;\n\t\t\tisLastLastCharUpper = isLastCharUpper;\n\t\t\tisLastCharUpper = true;\n\t\t\ti++;\n\t\t} else if (isLastCharUpper && isLastLastCharUpper && LOWERCASE.test(character)) {\n\t\t\tstring = string.slice(0, i - 1) + '-' + string.slice(i - 1);\n\t\t\tisLastLastCharUpper = isLastCharUpper;\n\t\t\tisLastCharUpper = false;\n\t\t\tisLastCharLower = true;\n\t\t} else {\n\t\t\tisLastCharLower = toLowerCase(character) === character && toUpperCase(character) !== character;\n\t\t\tisLastLastCharUpper = isLastCharUpper;\n\t\t\tisLastCharUpper = toUpperCase(character) === character && toLowerCase(character) !== character;\n\t\t}\n\t}\n\n\treturn string;\n};\n\nconst preserveConsecutiveUppercase = (input, toLowerCase) => {\n\tLEADING_CAPITAL.lastIndex = 0;\n\n\treturn input.replace(LEADING_CAPITAL, m1 => toLowerCase(m1));\n};\n\nconst postProcess = (input, toUpperCase) => {\n\tSEPARATORS_AND_IDENTIFIER.lastIndex = 0;\n\tNUMBERS_AND_IDENTIFIER.lastIndex = 0;\n\n\treturn input.replace(SEPARATORS_AND_IDENTIFIER, (_, identifier) => toUpperCase(identifier))\n\t\t.replace(NUMBERS_AND_IDENTIFIER, m => toUpperCase(m));\n};\n\nconst camelCase = (input, options) => {\n\tif (!(typeof input === 'string' || Array.isArray(input))) {\n\t\tthrow new TypeError('Expected the input to be `string | string[]`');\n\t}\n\n\toptions = {\n\t\tpascalCase: false,\n\t\tpreserveConsecutiveUppercase: false,\n\t\t...options\n\t};\n\n\tif (Array.isArray(input)) {\n\t\tinput = input.map(x => x.trim())\n\t\t\t.filter(x => x.length)\n\t\t\t.join('-');\n\t} else {\n\t\tinput = input.trim();\n\t}\n\n\tif (input.length === 0) {\n\t\treturn '';\n\t}\n\n\tconst toLowerCase = options.locale === false ?\n\t\tstring => string.toLowerCase() :\n\t\tstring => string.toLocaleLowerCase(options.locale);\n\tconst toUpperCase = options.locale === false ?\n\t\tstring => string.toUpperCase() :\n\t\tstring => string.toLocaleUpperCase(options.locale);\n\n\tif (input.length === 1) {\n\t\treturn options.pascalCase ? toUpperCase(input) : toLowerCase(input);\n\t}\n\n\tconst hasUpperCase = input !== toLowerCase(input);\n\n\tif (hasUpperCase) {\n\t\tinput = preserveCamelCase(input, toLowerCase, toUpperCase);\n\t}\n\n\tinput = input.replace(LEADING_SEPARATORS, '');\n\n\tif (options.preserveConsecutiveUppercase) {\n\t\tinput = preserveConsecutiveUppercase(input, toLowerCase);\n\t} else {\n\t\tinput = toLowerCase(input);\n\t}\n\n\tif (options.pascalCase) {\n\t\tinput = toUpperCase(input.charAt(0)) + input.slice(1);\n\t}\n\n\treturn postProcess(input, toUpperCase);\n};\n\nmodule.exports = camelCase;\n// TODO: Remove this for the next major release\nmodule.exports.default = camelCase;\n","import camelCase from 'camelcase';\n\nexport function parseCvParam(cvParam) {\n  let result = {};\n  if (!cvParam) return result;\n  let cvParams;\n  if (Array.isArray(cvParam)) {\n    cvParams = cvParam;\n  } else {\n    cvParams = [cvParam];\n  }\n  for (let parameter of cvParams) {\n    let attribute = parameter.attributes;\n    if (attribute.name) {\n      result[\n        camelCase(attribute.name.toLowerCase().replace(/[^ a-z0-9]/g, ''))\n      ] = {\n        accession: attribute.accession,\n        cvLabel: attribute.cvLabel,\n        value: attribute.value,\n        name: attribute.name,\n      };\n    }\n  }\n  return result;\n}\n","import { parseCvParam } from './parseCvParam';\n\nexport function processSpectrumList(parsed, times, msData) {\n  if (\n    !parsed ||\n    !parsed.run ||\n    !parsed.run.spectrumList ||\n    !parsed.run.spectrumList.spectrum\n  ) {\n    return;\n  }\n  let spectrumList = parsed.run.spectrumList.spectrum;\n\n  for (let spectrum of spectrumList) {\n    if (!spectrum.binaryDataArrayList) continue;\n    let scanList = spectrum.scanList;\n    if (Array.isArray(scanList)) throw new Error('Unsupported scanList');\n\n    let scan = scanList.scan;\n\n    if (typeof scan !== 'object') continue;\n    if (Array.isArray(scan)) {\n      throw new Error('processSpectrumList: scan may not be an array');\n    }\n    const cvParam = parseCvParam(scan.cvParam);\n    times.push(cvParam.scanStartTime.value);\n\n    const dataArrayList = spectrum.binaryDataArrayList.binaryDataArray;\n    if (dataArrayList.length !== 2) {\n      throw new Error('Can not decodeData because length !== 2');\n    }\n\n    const first = dataArrayList[0];\n    const firstCVParams = parseCvParam(first.cvParam);\n    const second = dataArrayList[1];\n    const secondCVParams = parseCvParam(second.cvParam);\n\n    if (firstCVParams.mzArray && secondCVParams.intensityArray) {\n      msData.push([first.binary, second.binary]);\n    }\n    if (firstCVParams.intensityArray && secondCVParams.mzArray) {\n      msData.push([second.binary, first.binary]);\n    }\n  }\n}\n","import { parse } from 'arraybuffer-xml-parser';\nimport { recursiveResolve } from 'ml-spectra-processing';\n\nimport { decodeBase64 } from '../util/decodeBase64';\n\nimport { processSpectrumList } from './processSpectrumList';\n\nconst decoder = new TextDecoder();\n\n// https://www.psidev.info/mzml\n// CV = Controlled vocabulary\nexport async function parseMzML(arrayBuffer, options = {}) {\n  const { logger = console } = options;\n  const result = {\n    metadata: {},\n    times: [],\n    series: {\n      ms: {\n        data: [],\n      },\n    },\n  };\n\n  let parsed = parse(arrayBuffer, {\n    attributesNodeName: 'attributes',\n    attributeNameProcessor: (attributeName) => attributeName,\n    tagValueProcessor: (value, node) => {\n      if (node.tagName !== 'binary') return decoder.decode(value);\n      const ontologies = node.parent.children.cvParam.map(\n        (entry) => entry.attributes.accession,\n      );\n      const promise = decodeBase64(node.bytes, { ontologies });\n      // avoid unhandled promise rejection and swallow the error\n      promise.catch((error) => {\n        logger.error('error decoding base64', error);\n        return [];\n      });\n      return promise;\n    },\n  });\n  // parsed file still contains promises\n  await recursiveResolve(parsed);\n\n  const mzML = parsed.mzML || parsed.indexedmzML.mzML;\n\n  processSpectrumList(mzML, result.times, result.series.ms.data);\n\n  return result;\n}\n","export function processSpectrumList(parsed, times, msData) {\n  if (!parsed.msRun.scan) return;\n  let scanList = parsed.msRun.scan;\n  if (Array.isArray(scanList) === false) scanList = [scanList];\n  if (scanList[0].attributes) msData.info = [];\n  for (let scan of scanList) {\n    if (typeof scan !== 'object') continue;\n    if (Array.isArray(scan)) {\n      throw new Error('processSpectrumList: scan may not be an array');\n    }\n    const dataArray = scan.peaks['#text'];\n    let length = dataArray.length / 2;\n    let first = new Float64Array(length);\n    let second = new Float64Array(length);\n    for (let i = 0; i < length; i++) {\n      first[i] = dataArray[i * 2];\n      second[i] = dataArray[i * 2 + 1];\n    }\n    msData.data.push([first, second]);\n    msData.info.push(scan.attributes);\n    times.push(\n      parseFloat(\n        scan.attributes.retentionTime.replace(/(?:P*)(?:T*)(?:S*)/gi, ''),\n      ),\n    );\n  }\n}\n","import { parse } from 'arraybuffer-xml-parser';\nimport { recursiveResolve } from 'ml-spectra-processing';\n\nimport { decodeBase64 } from '../util/decodeBase64';\n\nimport { processSpectrumList } from './processSpectrumList';\n\nconst decoder = new TextDecoder();\n\n/**\n *\n * @param {*} arrayBuffer\n * @param {import('../Options.js').Options} [options]\n * @returns\n */\nexport async function parseMzXML(arrayBuffer, options = {}) {\n  const { logger = console } = options;\n  const result = {\n    metadata: {},\n    times: [],\n    series: {\n      ms: {\n        data: [],\n      },\n    },\n  };\n  let parsed = parse(arrayBuffer, {\n    attributesNodeName: 'attributes',\n    attributeNameProcessor: (attributeName) => attributeName,\n    tagValueProcessor: (value, node) => {\n      if (node.tagName !== 'peaks') return decoder.decode(value);\n\n      const promise = decodeBase64(node.bytes, {\n        precision: node.attributes.precision,\n        endian: node.attributes.byteOrder,\n        compression: node.attributes.compressionType,\n      });\n      // avoid unhandled promise rejection and swallow the error\n      promise.catch((error) => {\n        logger.error('error decoding base64', error);\n        return [];\n      });\n      return promise;\n    },\n  });\n  await recursiveResolve(parsed);\n\n  processSpectrumList(parsed.mzXML, result.times, result.series.ms);\n\n  return result;\n}\n","import { parseMzData } from './mzdata/parseMzData';\nimport { parseMzML } from './mzml/parseMzML';\nimport { parseMzXML } from './mzxml/parseMzXML';\n\nconst decoder = new TextDecoder();\n\n/**\n * Reads a mzData v1.05 file\n * @param {ArrayBuffer|string} xml - ArrayBuffer or String or any Typed Array (including Node.js' Buffer from v4) with the data\n * @param {import('./Options.js').Options} [options={}]\n * @return Promise<{{times: Array<number>, series: { ms: { data:Array<Array<number>>}}}}>\n */\nexport async function parseMZ(xml, options = {}) {\n  if (typeof xml === 'string') {\n    const encoder = new TextEncoder();\n    xml = encoder.encode(xml);\n  }\n\n  if (!ArrayBuffer.isView(xml)) {\n    xml = new Uint8Array(xml);\n  }\n\n  const header = xml.subarray\n    ? decoder.decode(xml.subarray(0, 200))\n    : xml.substring(0, 200);\n\n  if (header.includes('mzData')) {\n    return parseMzData(xml, options);\n  } else if (header.includes('mzML')) {\n    return parseMzML(xml, options);\n  } else if (header.includes('mzXML')) {\n    return parseMzXML(xml, options);\n  } else {\n    throw new Error(`MZ parser: unknown format`);\n  }\n}\n","import { parseMZ } from 'mzdata';\n\nimport { fromJSON } from '../Chromatogram';\n\nexport async function fromXML(xml) {\n  return fromJSON(await 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