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ml(){ml=Dh;kl=Hd(Ad(He,1),pw,7,15,[yw,1162261467,Xw,1220703125,362797056,1977326743,Xw,387420489,Nw,214358881,429981696,815730721,1475789056,170859375,268435456,410338673,612220032,893871739,1280000000,1801088541,113379904,148035889,191102976,244140625,308915776,387420489,481890304,594823321,729000000,887503681,Xw,1291467969,1544804416,1838265625,60466176]);ll=Hd(Ad(He,1),pw,7,15,[-1,-1,31,19,15,13,11,11,10,9,9,8,8,8,8,7,7,7,7,7,7,7,6,6,6,6,6,6,6,6,6,6,6,6,6,6,5])}\nfunction xu(a){var b,c,d,e,f,g,h,i,j,k,l,m;if(a.c)throw Xg(new iv(ox));if(a.e)throw Xg(new iv(px));e=new xq;for(i=new bq(a.d);i.a<i.c.a.length;){h=aq(i);for(d=(g=(new jp(h.g)).a.N().b.V(),new pp(g));_n(d.a.a);){b=(f=is(d.a),f.S());if(ln(e,b.i)){k=kn(e,b.i);k.d=De(k.d+b.d*h.f);k.c=De(k.c+b.c*h.f)}else{k=new Ht(b);k.d=De(k.d*h.f);k.c=De(k.c*h.f);nn(e,b.i,k)}}}j=Au(a);for(c=(l=(new zo(e)).a.N().K(),new Eo(l));c.a.O();){b=(f=c.a.P(),f.T());b.g=(m=bj(b.b*Ct(b)*100/j*Sw),m/Sw)}return new zo(e)}\nfunction vl(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o;g=a.e;i=b.e;if(g==0){return b}if(i==0){return a}f=a.d;h=b.d;if(f+h==2){c=Zg(a.a[0],Vw);d=Zg(b.a[0],Vw);if(g==i){k=Yg(c,d);o=sh(k);n=sh(oh(k,32));return n==0?new Sk(g,o):new Tk(g,2,Hd(Ad(He,1),pw,7,15,[o,n]))}return dl(g<0?ph(d,c):ph(c,d))}else if(g==i){m=g;l=f>=h?wl(a.a,f,b.a,h):wl(b.a,h,a.a,f)}else{e=f!=h?f>h?1:-1:yl(a.a,b.a,f);if(e==0){return Dk(),Ck}if(e==1){m=g;l=Bl(a.a,f,b.a,h)}else{m=i;l=Bl(b.a,h,a.a,f)}}j=new Tk(m,l.length,l);Fk(j);return j}\nfunction ik(a){var b,c,d,e,f;if(a.g!=null){return a.g}if(a.a<32){a.g=ol(dh(a.f),De(a.e));return a.g}e=pl((!a.c&&(a.c=cl(a.f)),a.c),0);if(a.e==0){return e}b=(!a.c&&(a.c=cl(a.f)),a.c).e<0?2:1;c=e.length;d=-a.e+c-b;f=new 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a}\nfunction Fu(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B;b=vj(b,' ','');(new $wnd.RegExp('^(.*[a-zA-Z][0-9]+-[0-9].*)$')).test(b)&&(a.c=true);r=new RegExp('([A-Z][a-z]?\\\\{[0-9.,]*\\\\})');for(t=r.exec(b);t;t=r.exec(b)){h=t[1];p=(v=yu(h),w=vj(h,'\\\\{.*',''),gn(a.a,v)||nn(a.a,v,new nu(kn(a.a,w),v,h)),v);b=b.replace(r,p)}r=new RegExp('(\\\\{[A-Za-z0-9]*\\\\})');for(s=r.exec(b);s;s=r.exec(b)){h=s[1];q=(A=yu(h),B=vj(h,'[\\\\{\\\\}]',''),gn(a.b,A)||nn(a.b,A,new av(A,h,B,a.a,a.b)),A);b=b.replace(r,q)}b.indexOf('}')!=-1;g=wj(b,'\\\\.');n=1;o=false;for(e=0,f=g.length;e<f;++e){d=g[e];if(Eu(d)){if(o)throw Xg(new iv(\"Syntax error: 'number.number.'\"));n=Ai(d);o=true;continue}u=d.indexOf('/');if(u!=-1){if(o)throw Xg(new iv(\"Syntax error: 'number.number/number'\"));k=u+1;l=d.length;while($h(lj(d,k++))){if(k>=l)break}k<l&&--k;n=Gu(d.substr(0,k));o=true;if(k>=l)continue;else 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v.a;}}s=n*10+1+7;t=Ed(Fe,pw,7,s+1,15,1);c=s;if(n==1){g=e[0];if(g<0){G=Zg(g,Vw);do{o=G;G=ah(G,10);t[--c]=48+sh(ph(o,jh(G,10)))&Dw}while($g(G,0)!=0)}else{G=g;do{o=G;G=G/10|0;t[--c]=48+(o-G*10)&Dw}while(G!=0)}}else{C=Ed(He,pw,7,n,15,1);F=n;Tj(e,0,C,0,n);H:while(true){w=0;for(i=F-1;i>=0;i--){D=Yg(mh(w,32),Zg(C[i],Vw));q=nl(D);C[i]=sh(q);w=sh(nh(q,32))}r=sh(w);p=c;do{t[--c]=48+r%10&Dw}while((r=r/10|0)!=0&&c!=0);d=9-p+c;for(h=0;h<d&&c>0;h++){t[--c]=48}k=F-1;for(;C[k]==0;k--){if(k==0){break H}}F=k+1}while(t[c]==48){++c}}m=A<0;f=s-c-b-1;if(b==0){m&&(t[--c]=45);return Dj(t,c,s-c)}if(b>0&&f>=-6){if(f>=0){j=c+f;for(l=s-1;l>=j;l--){t[l+1]=t[l]}t[++j]=46;m&&(t[--c]=45);return Dj(t,c,s-c+1)}for(k=2;k<-f+1;k++){t[--c]=48}t[--c]=46;t[--c]=48;m&&(t[--c]=45);return Dj(t,c,s-c)}B=c+1;u=new Nj;m&&(u.a+='-',u);if(s-B>=1){Hj(u,t[c]);u.a+='.';u.a+=Dj(t,c+1,s-c-1)}else{u.a+=Dj(t,c,s-c)}u.a+='E';f>0&&(u.a+='+',u);u.a+=''+f;return u.a}\nfunction Zt(a,b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A;u=new 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c,d,e,f;lm(b,a.e);c=a.d[0];d=a.d[1];e=a.d[2];f=a.d[3];c=mm(c,d,e,f,a.e[0],7,-680876936);f=mm(f,c,d,e,a.e[1],12,-389564586);e=mm(e,f,c,d,a.e[2],17,606105819);d=mm(d,e,f,c,a.e[3],22,-1044525330);c=mm(c,d,e,f,a.e[4],7,-176418897);f=mm(f,c,d,e,a.e[5],12,1200080426);e=mm(e,f,c,d,a.e[6],17,-1473231341);d=mm(d,e,f,c,a.e[7],22,-45705983);c=mm(c,d,e,f,a.e[8],7,1770035416);f=mm(f,c,d,e,a.e[9],12,-1958414417);e=mm(e,f,c,d,a.e[10],17,-42063);d=mm(d,e,f,c,a.e[11],22,-1990404162);c=mm(c,d,e,f,a.e[12],7,1804603682);f=mm(f,c,d,e,a.e[13],12,-40341101);e=mm(e,f,c,d,a.e[14],17,-1502002290);d=mm(d,e,f,c,a.e[15],22,1236535329);c=nm(c,d,e,f,a.e[1],5,-165796510);f=nm(f,c,d,e,a.e[6],9,-1069501632);e=nm(e,f,c,d,a.e[11],14,643717713);d=nm(d,e,f,c,a.e[0],20,-373897302);c=nm(c,d,e,f,a.e[5],5,-701558691);f=nm(f,c,d,e,a.e[10],9,38016083);e=nm(e,f,c,d,a.e[15],14,-660478335);d=nm(d,e,f,c,a.e[4],20,-405537848);c=nm(c,d,e,f,a.e[9],5,568446438);f=nm(f,c,d,e,a.e[14],9,-1019803690);e=nm(e,f,c,d,a.e[3],14,-187363961);d=nm(d,e,f,c,a.e[8],20,1163531501);c=nm(c,d,e,f,a.e[13],5,-1444681467);f=nm(f,c,d,e,a.e[2],9,-51403784);e=nm(e,f,c,d,a.e[7],14,1735328473);d=nm(d,e,f,c,a.e[12],20,-1926607734);c=om(c,d,e,f,a.e[5],4,-378558);f=om(f,c,d,e,a.e[8],11,-2022574463);e=om(e,f,c,d,a.e[11],16,1839030562);d=om(d,e,f,c,a.e[14],23,-35309556);c=om(c,d,e,f,a.e[1],4,-1530992060);f=om(f,c,d,e,a.e[4],11,1272893353);e=om(e,f,c,d,a.e[7],16,-155497632);d=om(d,e,f,c,a.e[10],23,-1094730640);c=om(c,d,e,f,a.e[13],4,681279174);f=om(f,c,d,e,a.e[0],11,-358537222);e=om(e,f,c,d,a.e[3],16,-722521979);d=om(d,e,f,c,a.e[6],23,76029189);c=om(c,d,e,f,a.e[9],4,-640364487);f=om(f,c,d,e,a.e[12],11,-421815835);e=om(e,f,c,d,a.e[15],16,530742520);d=om(d,e,f,c,a.e[2],23,-995338651);c=pm(c,d,e,f,a.e[0],6,-198630844);f=pm(f,c,d,e,a.e[7],10,1126891415);e=pm(e,f,c,d,a.e[14],15,-1416354905);d=pm(d,e,f,c,a.e[5],21,-57434055);c=pm(c,d,e,f,a.e[12],6,1700485571);f=pm(f,c,d,e,a.e[3],10,-1894986606);e=pm(e,f,c,d,a.e[10],15,-1051523);d=pm(d,e,f,c,a.e[1],21,-2054922799);c=pm(c,d,e,f,a.e[8],6,1873313359);f=pm(f,c,d,e,a.e[15],10,-30611744);e=pm(e,f,c,d,a.e[6],15,-1560198380);d=pm(d,e,f,c,a.e[13],21,1309151649);c=pm(c,d,e,f,a.e[4],6,-145523070);f=pm(f,c,d,e,a.e[11],10,-1120210379);e=pm(e,f,c,d,a.e[2],15,718787259);d=pm(d,e,f,c,a.e[9],21,-343485551);a.d[0]=a.d[0]+c|0;a.d[1]=a.d[1]+d|0;a.d[2]=a.d[2]+e|0;a.d[3]=a.d[3]+f|0}\nfunction Zu(b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w;c=zj(c);c=vj(c,'[=]','');if(c.indexOf('.')!=-1)throw Xg(new Ab('Error: the formula \"'+c+'\"contains dots (error in parsing)'));if(oj(c,'')){return}if($h(c.charCodeAt(0))){throw Xg(new Ab('Error: the formula starts with a number'))}c.charCodeAt(0)==120&&(c='X'+yj(c,1,c.length));g=new Fr;k=1;j=1;m=1;l=1;r=1;q=1;w=c.length-1;while(w>=0){if($h(c.charCodeAt(w))){f=w;while(w>0&&$h(c.charCodeAt(w)))--w;e=nt(c.substr(w+1,f+1-(w+1)));u=Bi(e);if(c.charCodeAt(w)==45){--w;if(w<0)throw Xg(new iv(\"Syntax error: the formula starts with '-': \"+c));f=w;while(w>0&&$h(c.charCodeAt(w)))--w;w==0&&$h(c.charCodeAt(0))&&--w;o=nt(c.substr(w+1,f+1-(w+1)));if(o.length==0){u=Bi('-'+e);v=u}else{v=Bi(o)}}else v=u;if(c.charCodeAt(w)==41){--w;if(w<0)throw Xg(new iv(ux+c));Er(g,new Pi(r));Er(g,new Pi(q));r=m;q=l;l*=u;m*=v}else{k=v;j=u}}else{if(c.charCodeAt(w)==93){s=w;--w;if(w<=1)throw Xg(new iv(vx));if(!_h(c.charCodeAt(w)))throw Xg(new iv(vx));while(w>0&&bi(c.charCodeAt(w)))--w;if(!ci(c.charCodeAt(w)))throw Xg(new iv('Syntax error: bad symbol (must start with uppercase)'));t=c.substr(w,s-w);--w;if(w<0)throw Xg(new iv(vx));if(!$h(c.charCodeAt(w)))throw Xg(new iv(vx));f=w;while(w>0&&c.charCodeAt(w)!=91)--w;p=c.substr(w+1,f+1-(w+1));try{n=Bi(p)}catch(a){a=Wg(a);if(we(a,21)){throw Xg(new iv('Syntax error: bad isotope number '+p))}else throw Xg(a)}if(c.charCodeAt(w)!=91)throw Xg(new iv(\"Isotope syntax error: no opening '['\"));Lu(b,t,k*m,j*l,n,d);j=1;k=1;if(w>0)--w;else return}else{if(_h(c.charCodeAt(w))){s=w;while(w>0&&bi(c.charCodeAt(w)))--w;if(s==0&&w==0&&c.charCodeAt(0)==110){b.f=0;return}if(!ci(c.charCodeAt(w)))throw Xg(new iv('Syntax error: the symbol must start with uppercase'));t=c.substr(w,s+1-w);if(oj(t,'X')&&w==0){b.f=0;return}--w;Lu(b,t,k*m,j*l,0,d);j=1;k=1}else{while(c.charCodeAt(w)==41){--w;if(w<0)throw Xg(new iv(ux+c));Er(g,new Pi(r));Er(g,new Pi(q));r=m;q=l}if(w<0)break;while(c.charCodeAt(w)==40){l=q;m=r;if(g.a.a.length==0){q=1;r=1}else{q=Dr(g).a;r=Dr(g).a}--w;if(w<0)break}if(w<0)break;if(c.charCodeAt(w)==125){i=w;while(w>0&&c.charCodeAt(w)!=123)--w;if(c.charCodeAt(w)!=123)throw Xg(new iv('Syntax error (combinatorial): no opening brace'));$u(b,c.substr(w+1,i-(w+1)),k*m,j*l);--w}}}}if(w<0)break;h=c.charCodeAt(w);if(h==123)throw Xg(new iv('Syntax error (combinatorial): no closing brace'));if(h==91)throw Xg(new iv('Syntax error (isotope): no closing bracket'));if(!/[A-Z\\d]/i.test(String.fromCharCode(h))&&h!=40&&h!=91&&h!=123&&h!=93&&h!=41&&h!=125)throw Xg(new iv(\"Syntax error: unrecognized character: '\"+String.fromCharCode(h)+\"'\"))}}\nfunction Wv(b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S;B=new kw;if(!b){hw(B,Ax,new td(Dx));return B}O=b.b.a.get(Cx);if(O!=null&&!oj(O,'')){try{d=(gv(),gv(),ev)}catch(a){a=Wg(a);if(!we(a,47))throw Xg(a)}}H=b.b.a.get(wx);v=b.b.a.get(Ex);R=b.b.a.get(Fx)!=null&&nt((Th(),pj(b.b.a.get(Fx))?true:false));q=0.001;try{q=Ai(b.b.a.get(Gx))}catch(a){a=Wg(a);if(!we(a,8))throw Xg(a)}Q=1.0E-5;try{Q=Ai(b.b.a.get(Hx))}catch(a){a=Wg(a);if(!we(a,8))throw Xg(a)}s=0;try{s=De(Ai(b.b.a.get(Ix)))}catch(a){a=Wg(a);if(!we(a,8))throw Xg(a)}i=null;try{i=Ai(b.b.a.get(Jx))}catch(a){a=Wg(a);if(!we(a,8))throw Xg(a)}A=0;Pq(b.b,Kx)&&oj(b.b.a.get(Kx).toLowerCase(),'center')&&(A=1);D=new kw;H==null?hw(D,wx,(Pc(),Pc(),Oc)):hw(D,wx,new td(H));Q==null?hw(D,Hx,(Pc(),Pc(),Oc)):hw(D,Hx,new Uc((ht(Q),Q)));q==null?hw(D,Gx,(Pc(),Pc(),Oc)):hw(D,Gx,new Uc((ht(q),q)));hw(D,Fx,(Ic(),R?Hc:Gc));v==null?hw(D,Ex,(Pc(),Pc(),Oc)):hw(D,Ex,new td(v));s>0&&hw(D,Ix,new Uc(s));O==null?hw(D,Cx,(Pc(),Pc(),Oc)):hw(D,Cx,new td(O));hw(B,'options',D.a);n=null;if(H!=null){H=zj(H);oj(H,'')&&(H=null)}if(H!=null){try{n=new Iu(H,d,c);if(n.d.a.length>0){if(n.e){hw(B,Ax,new td('mass not defined'))}else{if(R){I=new kw;hw(I,Lx,new td(wx));jw(I,Mx,Hu(n));hw(B,wx,I.a)}else{jw(B,wx,Hu(n))}hw(B,Nx,new Uc(zu(n)));if(n.c){hw(B,'isRange',(null,Hc))}else{hw(B,'mw',new Uc(Au(n)));hw(B,'em',new Uc(Bu(n)));hw(B,'nominalMass',new Uc(Cu(n)));hw(B,Nx,new Uc(zu(n)));try{hw(B,Ox,new Uc(Du(n,i)))}catch(a){a=Wg(a);if(!we(a,8))throw Xg(a)}t=new ew;for(h=(L=xu(n).a.N().K(),new Eo(L));h.a.O();){f=(l=h.a.P(),l.T());k=new kw;jw(k,'element',f.i);hw(k,sw,new Uc(Ct(f)));hw(k,kx,new Uc(f.g));dw(t,k.a)}hw(B,'ea',t.a);if(v!=null&&!oj(v,'')){P=new pv(d,n,(ht(q),q),(ht(Q),Q));P.f=A;kv(P);lv(P);if(s>0){r=Ov(s);jv(P,r,(ht(q),q))}hw(D,'numberLines',new Uc(P.e.c.d));if(v.indexOf(Px)>-1){if(R){w=new kw;hw(w,Lx,new td(Px));jw(w,Mx,mv(P).a);hw(B,Px,w.a)}else{jw(B,Px,mv(P).a)}}if(v.indexOf('xy')>-1){if(R){S=new kw;hw(S,Lx,new td('xy'));jw(S,Mx,nv(P).a);hw(B,'xy',S.a)}else{jw(B,'xy',nv(P).a)}}if(v.indexOf('array')>-1&&v.indexOf('arrayX')==-1){e=ov(P);C=new ew;F=new ew;G=new ew;for(u=0;u<e.length;u++){dw(F,new Uc(e[u][0]));dw(G,new Uc(e[u][1]))}dw(C,F.a);dw(C,G.a);hw(B,'spectrum',C.a)}if(v.indexOf('arrayXXYY')>-1){e=ov(P);C=new ew;F=new ew;G=new ew;for(u=0;u<e.length;u++){dw(F,new Uc(e[u][0]));dw(G,new Uc(e[u][1]))}dw(C,F.a);dw(C,G.a);hw(B,'arrayXXYY',C.a)}if(v.indexOf('arrayXYXY')>-1){e=ov(P);hw(B,'arrayXYXY',(new gw(e)).a)}}N=new ew;hw(B,'parts',N.a);for(p=new bq(n.d);p.a<p.c.a.length;){o=aq(p);M=new kw;dw(N,M.a);if(R){I=new kw;hw(I,Lx,new td(wx));jw(I,Mx,Uu(o));hw(M,wx,I.a)}else{jw(M,wx,Uu(o))}hw(M,'mw',new Uc(Pu(o)));hw(M,'em',new Uc(Qu(o)));hw(M,sw,new Uc(o.f));o.b.length>0&&jw(M,'comment',o.b);iw(M,Jv(o,i));K=Qu(o)-o.a*zx;if(o.a!=0){hw(M,Nx,new Uc(o.a));K=K/$i(o.a)}hw(M,'msem',new Uc(K));Nu(o);j=new ew;for(g=(m=(new jp(o.g)).a.N().b.V(),new pp(m));_n(g.a.a);){f=(l=is(g.a),l.S());k=new kw;jw(k,'element',f.i);hw(k,sw,new Uc(Ct(f)));hw(k,kx,new Uc(f.g));dw(j,k.a)}hw(M,'ea',j.a)}}}}else{hw(B,Ax,new td('there is no part in the molecule'))}}catch(a){a=Wg(a);if(we(a,4)){J=a;jw(B,Ax,J.f)}else throw Xg(a)}}else{hw(B,Ax,new td('parameter mf not specified'))}return B}\nfunction Zv(b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,$,ab,bb,cb,db;H=0.5;S=0;M=50;K=1000;u=false;db=false;T=false;A=b.b.a.get(Qx)!=null&&nt((Th(),pj(b.b.a.get(Qx))?true:false));w=b.b.a.get(Rx)==null?'http://www.chemcalc.org/service/jcamp/':b.b.a.get(Rx);P='C0-100H0-202N0-10O0-10F0-3Cl0-3Br0-1';$=hx;Z=new Ls;bb=b.b.a.get(Fx)!=null&&nt((Th(),pj(b.b.a.get(Fx))?true:false));s=0.001;try{s=Ai(b.b.a.get(Gx))}catch(a){a=Wg(a);if(!we(a,8))throw Xg(a)}t=0;try{t=De(Ai(b.b.a.get(Ix)))}catch(a){a=Wg(a);if(!we(a,8))throw Xg(a)}C=new kw;if(!b){hw(C,Ax,new td(Dx));return C}W=b.b.a.get(Cx);if(W!=null&&!oj(W,'')){try{d=(gv(),gv(),ev)}catch(a){a=Wg(a);if(!we(a,47))throw Xg(a)}}l=null;try{l=Ai(b.b.a.get(Jx))}catch(a){a=Wg(a);if(!we(a,8))throw Xg(a)}try{S=Ai(b.b.a.get(Sx))}catch(a){a=Wg(a);if(!we(a,8))throw Xg(a)}try{M=Ai(b.b.a.get(Tx))}catch(a){a=Wg(a);if(!we(a,8))throw Xg(a)}if(Pq(b.b,Ux)){try{u=(Th(),pj(b.b.a.get(Ux)))}catch(a){a=Wg(a);if(!we(a,8))throw Xg(a)}}if(Pq(b.b,Vx)){try{db=(Th(),pj(b.b.a.get(Vx)))}catch(a){a=Wg(a);if(!we(a,8))throw Xg(a)}}if(Pq(b.b,Wx)){try{T=(Th(),pj(b.b.a.get(Wx)))}catch(a){a=Wg(a);if(!we(a,8))throw Xg(a)}}try{K=Ai(b.b.a.get('maxNumberRows'))}catch(a){a=Wg(a);if(!we(a,8))throw Xg(a)}try{$=Ai(b.b.a.get(jx))}catch(a){a=Wg(a);if(!we(a,8))throw Xg(a)}try{H=Ai(b.b.a.get('massRange'))}catch(a){a=Wg(a);if(!we(a,8))throw Xg(a)}R=$-H;J=$+H;try{J=Ai(b.b.a.get('maxMass'))}catch(a){a=Wg(a);if(!we(a,8))throw Xg(a)}Pq(b.b,Xx)&&b.b.a.get(Xx)!=null&&b.b.a.get(Xx).length>0&&(P=b.b.a.get(Xx));if($<0){hw(C,Ax,new td('monoisotopicMass must be specified and larger than 0'));return C}D=new kw;hw(D,Sx,new Uc(S));hw(D,Tx,new Uc(M));hw(D,Ux,(Ic(),u?Hc:Gc));hw(D,Vx,db?Hc:Gc);hw(D,Wx,T?Hc:Gc);hw(D,'minMass',new Uc(rh(dh($wnd.Math.round(R*Tw)))/Tw));hw(D,'maxMass',new Uc(rh(dh($wnd.Math.round(J*Tw)))/Tw));hw(D,'massRange',new Uc(rh(dh($wnd.Math.round(H*Tw)))/Tw));P==null?hw(D,Xx,(Pc(),Pc(),Oc)):hw(D,Xx,new td(P));hw(D,jx,new Uc(rh(dh($wnd.Math.round($*Tw)))/Tw));W==null?hw(D,Cx,(Pc(),Pc(),Oc)):hw(D,Cx,new td(W));hw(D,Qx,A?Hc:Gc);w==null?hw(D,Rx,(Pc(),Pc(),Oc)):hw(D,Rx,new td(w));hw(D,Fx,bb?Hc:Gc);hw(C,'options',D.a);v=0;U=0;f=0;g=0;try{e=new Ju(P,d,c,false);if(e.d.a.length!=1){hw(C,Ax,new td('Number of parts not equal to 1'));return C}f=yp(e.d,0).a;g=f<0?-f:f;if(f!=0){$=$*g+f*zx;R=R*g+f*zx;J=J*g+f*zx;H=H*g}V=_v(yp(e.d,0),$+H);if(V){j=Ed(Ge,Qw,7,V.a.a.length,15,1);Q=Ed(Ge,Qw,7,V.a.a.length,15,1);I=Ed(Ge,Qw,7,V.a.a.length,15,1);Xv(V,Q,I);hw(C,'bruteForceIteration',new Uc(Ai(pl(Yv(V),0))));ab=false;k=0;L=V.a.a.length;tu((lr(0,V.a.a.length),yp(V.a,0)),0,$,Q[0],I[0],H);while(!ab){if($g(v,2000000000)>0){throw Xg(new iv('Iteration number is over the current maximum of: 2000000000'))}if(j[k]>=R&&j[k]<=J){cb=Iv(V,l);if(!db||cb==null||(ht(cb),cb)>=S&&(ht(cb),cb)<=M&&(!u||(ht(cb),cb)==De((ht(cb),cb)))){U=Yg(U,1);if(!T){if(Z.g.d>=K){if($wnd.Math.abs(cp(Mr(Z.g)).a)>$wnd.Math.abs(j[k]-$)){Tm(Zo(Z.g));Ks(Z,new bw(j[k]-$,j[k],cb,$v(V,c)))}}else{Ks(Z,new bw(j[k]-$,j[k],cb,$v(V,c)))}}}}while(k<L&&k>=0){v=Yg(v,1);i=(lr(k,V.a.a.length),yp(V.a,k));if(i.b<i.c){++i.b;k==0?(j[0]=i.a.e*i.b):(j[k]=j[k-1]+i.a.e*i.b);if(k<L-1){++k;tu((lr(k,V.a.a.length),yp(V.a,k)),j[k-1],$,Q[k],I[k],H)}else{break}}else{--k}}k<0&&(ab=true)}}hw(C,'realIteration',new Uc(rh(ph(v,1))));hw(C,'numberResults',new Uc(rh(U)));hw(C,Nx,new Uc(f))}catch(a){a=Wg(a);if(we(a,4)){m=a;jw(C,Ax,rb(m,m.f)+'\\r'+(ei(Ug),Ug.k+'@'+(st(D)>>>0).toString(16)))}else throw Xg(a)}G=new ew;h='';f!=0&&(f>0?(h='(+'+f+')'):(h='('+f+')'));for(Y=(q=(new jp(Z.g)).a.N().b.V(),new pp(q));_n(Y.a.a);){X=(p=is(Y.a),p.S());F=new kw;if(f==0){r=rh(dh($wnd.Math.round(X.a*Tw)))/Tw;o=rh(dh($wnd.Math.round(X.c*Tw)))/Tw}else{r=rh(dh($wnd.Math.round(X.a/g*Tw)))/Tw;o=rh(dh($wnd.Math.round((X.c-f*zx)/g*Tw)))/Tw}hw(F,Ax,new Uc(r));hw(F,'em',new Uc(o));hw(F,'ppm',new Uc(rh(dh($wnd.Math.round(r/o*Tw)))/Tw*Sw));jw(F,'info',X.b+h);try{B=w+(''+X.b)+'&fwhm='+s;t>0&&(B+='&gaussianWidth='+t);if(bb){N=new kw;hw(N,Lx,new td(wx));jw(N,Mx,Hu(new Iu(X.b+h,d,c)));hw(F,wx,N.a);if(A){O=new kw;hw(O,Lx,new td(Px));hw(O,'url',new td(B));hw(F,Px,O.a)}}else{jw(F,wx,Hu(new Iu(X.b+h,d,c)));A&&hw(F,'jcampURL',new td(B))}}catch(a){a=Wg(a);if(we(a,4)){n=a;jw(F,wx,rb(n,n.f))}else throw Xg(a)}try{hw(F,'unsat',new Uc(rh(dh($wnd.Math.round(nt(X.d)*Tw)))/Tw))}catch(a){a=Wg(a);if(!we(a,8))throw Xg(a)}dw(G,F.a)}hw(C,'results',G.a);return C}\nfunction gv(){gv=Dh;var b,c,d,e,f,g,h,i,j,k,l,m,n,o;ev=new xq;e=new xq;l=wj('1\\tH\\tHydrogen\\t1.0079407540647767\\n2\\tHe\\tHelium\\t4.002601932126928\\n3\\tLi\\tLithium\\t6.940036602958518\\n4\\tBe\\tBeryllium\\t9.01218306582\\n5\\tB\\tBoron\\t10.811028050830402\\n6\\tC\\tCarbon\\t12.010735896735273\\n7\\tN\\tNitrogen\\t14.006703211447812\\n8\\tO\\tOxygen\\t15.99940492431999\\n9\\tF\\tFluorine\\t18.9984031627392\\n10\\tNe\\tNeon\\t20.1800463805534\\n11\\tNa\\tSodium\\t22.989769282019\\n12\\tMg\\tMagnesium\\t24.30505162003182\\n13\\tAl\\tAluminium\\t26.9815385311\\n14\\tSi\\tSilicon\\t28.085498705717367\\n15\\tP\\tPhosphorus\\t30.973761998427005\\n16\\tS\\tSulfur\\t32.06478740616064\\n17\\tCl\\tChlorine\\t35.45293758302163\\n18\\tAr\\tArgon\\t39.94779856360816\\n19\\tK\\tPotassium\\t39.098300910134526\\n20\\tCa\\tCalcium\\t40.078022511320995\\n21\\tSc\\tScandium\\t44.9559082877\\n22\\tTi\\tTitanium\\t47.86674496650784\\n23\\tV\\tVanadium\\t50.94146504682524\\n24\\tCr\\tChromium\\t51.99613176185417\\n25\\tMn\\tManganese\\t54.9380439148\\n26\\tFe\\tIron\\t55.84514443879042\\n27\\tCo\\tCobalt\\t58.9331942956\\n28\\tNi\\tNickel\\t58.69334711516411\\n29\\tCu\\tCopper\\t63.54603995189275\\n30\\tZn\\tZinc\\t65.37778253794673\\n31\\tGa\\tGallium\\t69.72306608387825\\n32\\tGe\\tGermanium\\t72.62755016686985\\n33\\tAs\\tArsenic\\t74.9215945795\\n34\\tSe\\tSelenium\\t78.9593885653162\\n35\\tBr\\tBromine\\t79.90352779450998\\n36\\tKr\\tKrypton\\t83.7979999970144\\n37\\tRb\\tRubidium\\t85.4676635956754\\n38\\tSr\\tStrontium\\t87.6166444816256\\n39\\tY\\tYttrium\\t88.905840324\\n40\\tZr\\tZirconium\\t91.223641617088\\n41\\tNb\\tNiobium\\t92.90637302\\n42\\tMo\\tMolybdenum\\t95.95978854712139\\n43\\tTc\\tTechnetium\\t97.907212436\\n44\\tRu\\tRuthenium\\t101.06494015455816\\n45\\tRh\\tRhodium\\t102.905498026\\n46\\tPd\\tPalladium\\t106.4153275191986\\n47\\tAg\\tSilver\\t107.86814965477768\\n48\\tCd\\tCadmium\\t112.4115578234279\\n49\\tIn\\tIndium\\t114.81808662995083\\n50\\tSn\\tTin\\t118.71011260065993\\n51\\tSb\\tAntimony\\t121.75978370048469\\n52\\tTe\\tTellurium\\t127.60312649313722\\n53\\tI\\tIodine\\t126.90447193899999\\n54\\tXe\\tXenon\\t131.29276144954605\\n55\\tCs\\tCaesium\\t132.90545196108\\n56\\tBa\\tBarium\\t137.326891631724\\n57\\tLa\\tLanthanum\\t138.90546889772423\\n58\\tCe\\tCerium\\t140.11573076170473\\n59\\tPr\\tPraseodymium\\t140.907657623\\n60\\tNd\\tNeodymium\\t144.2415960520596\\n61\\tPm\\tPromethium\\t144.912755933\\n62\\tSm\\tSamarium\\t150.36635573073943\\n63\\tEu\\tEuropium\\t151.96437814438002\\n64\\tGd\\tGadolinium\\t157.25213066410058\\n65\\tTb\\tTerbium\\t158.925354719\\n66\\tDy\\tDysprosium\\t162.49947283943277\\n67\\tHo\\tHolmium\\t164.930328821\\n68\\tEr\\tErbium\\t167.25908267223062\\n69\\tTm\\tThulium\\t168.934217922\\n70\\tYb\\tYtterbium\\t173.05415018857693\\n71\\tLu\\tLutetium\\t174.96681497785502\\n72\\tHf\\tHafnium\\t178.48497874351798\\n73\\tTa\\tTantalum\\t180.94787565622738\\n74\\tW\\tTungsten\\t183.84177756194964\\n75\\tRe\\tRhenium\\t186.206704560478\\n76\\tOs\\tOsmium\\t190.22485964996508\\n77\\tIr\\tIridium\\t192.21605167309997\\n78\\tPt\\tPlatinum\\t195.08445687604046\\n79\\tAu\\tGold\\t196.9665687971\\n80\\tHg\\tMercury\\t200.599167040318\\n81\\tTl\\tThallium\\t204.38341285336003\\n82\\tPb\\tLead\\t207.21690807599998\\n83\\tBi\\tBismuth\\t208.980399116\\n84\\tPo\\tPolonium\\t208.98243082000002\\n85\\tAt\\tAstatine\\t209.987147983\\n86\\tRn\\tRadon\\t222.017578225\\n87\\tFr\\tFrancium\\t223.019736025\\n88\\tRa\\tRadium\\t226.02541032500002\\n89\\tAc\\tActinium\\t227.027752325\\n90\\tTh\\tThorium\\t232.03805582100003\\n91\\tPa\\tProtactinium\\t231.035884224\\n92\\tU\\tUranium\\t238.0289104816502\\n93\\tNp\\tNeptunium\\t237.048173619\\n94\\tPu\\tPlutonium\\t244.06420535600003\\n95\\tAm\\tAmericium\\t243.061381324\\n96\\tCm\\tCurium\\t247.070354147\\n97\\tBk\\tBerkelium\\t247.070307359\\n98\\tCf\\tCalifornium\\t251.079588648\\n99\\tEs\\tEinsteinium\\t252.08298054\\n100\\tFm\\tFermium\\t257.095106169\\n101\\tMd\\tMendelevium\\t258.09843155\\n102\\tNo\\tNobelium\\t259.1010311\\n103\\tLr\\tLawrencium\\t266.1198356\\n104\\tRf\\tRutherfordium\\t267.1217962\\n105\\tDb\\tDubnium\\t268.1256757\\n106\\tSg\\tSeaborgium\\t269.1286339\\n107\\tBh\\tBohrium\\t270.1333631\\n108\\tHs\\tHassium\\t277.1519058\\n109\\tMt\\tMeitnerium\\t278.1563168\\n110\\tDs\\tDarmstadtium\\t281.1645159\\n111\\tRg\\tRoentgenium\\t282.1691272\\n112\\tCn\\tCopernicium\\t285.177126\\n113\\tNh\\tNihonium\\t286.1822172\\n114\\tFl\\tFlerovium\\t289.190426\\n115\\tMc\\tMoscovium\\t290.1959873\\n116\\tLv\\tLivermorium\\t293.204496\\n117\\tTs\\tTeennessine\\t294.2104674\\n118\\tOg\\tOganesson\\t294.2139271',xx);for(h=0;h<l.length;h++){o=wj(l[h],'\\t');c=new 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fakeWindow.setInterval = globalEnv.setInterval ? globalEnv.setInterval.bind(globalEnv) : noop;\n        fakeWindow.clearInterval = globalEnv.clearInterval ? globalEnv.clearInterval.bind(globalEnv) : noop;\n        // required since GWT 2.8.0\n        fakeWindow.Error = globalEnv.Error;\n        fakeWindow.Math = globalEnv.Math;\n        fakeWindow.RegExp = globalEnv.RegExp;\n        fakeWindow.TypeError = globalEnv.TypeError;\n    }\n\n    if (!fakeWindow.document) {\n        fakeWindow.document = document;\n    }\n\n    var exportedApi = getExports(fakeWindow);\n\n    if (typeof exports !== 'undefined') { // NodeJS\n        fillExports(exportedApi, exports);\n    } else if (typeof define === 'function' && define.amd) { // AMD\n        define(function () {\n            var exportsObj = {};\n            fillExports(exportedApi, exportsObj);\n            return exportsObj;\n        });\n    } else { // Global\n        var path = [\"CI\",\"Chemcalc\"];\n        var l = path.length - 1;\n        var obj = globalEnv;\n        for (var i = 0; i < l; i++) {\n            obj = obj[path[i]] || (obj[path[i]] = {});\n        }\n        obj[path[l]] = {};\n        fillExports(exportedApi, obj[path[l]]);\n    }\n\n    function fillExports(obj, exports) {\n        var keys = Object.keys(obj);\n        for (var i = 0; i < keys.length; i++) {\n            exports[keys[i]] = obj[keys[i]];\n        }\n    }\n\n    function noop() {}\n\n})(this);\n","module.exports = {\n  ROOT       : 0,\n  GROUP      : 1,\n  POSITION   : 2,\n  SET        : 3,\n  RANGE      : 4,\n  REPETITION : 5,\n  REFERENCE  : 6,\n  CHAR       : 7,\n};\n","'use strict';\n\n// SOURCE: https://en.wikipedia.org/wiki/Amino_acid\nmodule.exports = [\n    // Standard amino acids\n    {\n        name: \"Alanine\",\n        aa3: \"Ala\",\n        aa1: \"A\",\n        sc: {\n            type: \"hydrophobic\"\n        },\n        pKaC: 2.33,\n        pKaN: 9.71\n    },\n    {\n        name: \"Arginine\",\n        aa3: \"Arg\",\n        aa1: \"R\",\n        sc: {\n            type: \"positive\",\n            pKa: 12.10\n        },\n        pKaC: 2.03,\n        pKaN: 9.00\n    },\n    {\n        name: \"Asparagine\",\n        aa3: \"Asn\",\n        aa1: \"N\",\n        sc: {\n            type: \"polar\"\n        },\n        pKaC: 2.13,\n        pKaN: 9.05\n    },\n    {\n        name: \"Aspartic acid\",\n        aa3: \"Asp\",\n        aa1: \"D\",\n        sc: {\n            type: \"negative\",\n            pKa: 3.71\n        },\n        pKaC: 1.95,\n        pKaN: 9.66\n    },\n    {\n        name: \"Cysteine\",\n        aa3: \"Cys\",\n        aa1: \"C\",\n        sc: {\n            type: \"special\",\n            pKa: 8.14\n        },\n        pKaC: 1.91,\n        pKaN: 10.28\n    },\n    {\n        name: \"Glutamic acid\",\n        aa3: \"Glu\",\n        aa1: \"E\",\n        sc: {\n            type: \"negative\",\n            pKa: 4.15\n        },\n        pKaC: 2.16,\n        pKaN: 9.58\n    },\n    {\n        name: \"Glutamine\",\n        aa3: \"Gln\",\n        aa1: \"Q\",\n        sc: {\n            type: \"polar\"\n        },\n        pKaC: 2.18,\n        pKaN: 9.00\n    },\n    {\n        name: \"Glycine\",\n        aa3: \"Gly\",\n        aa1: \"G\",\n        sc: {\n            type: \"special\"\n        },\n        pKaC: 2.34,\n        pKaN: 9.58\n    },\n    {\n        name: \"Histidine\",\n        aa3: \"His\",\n        aa1: \"H\",\n        sc: {\n            type: \"positive\",\n            pKa: 6.04\n        },\n        pKaC: 1.70,\n        pKaN: 9.09\n    },\n    {\n        name: \"Isoleucine\",\n        aa3: \"Ile\",\n        aa1: \"I\",\n        sc: {\n            type: \"hydrophobic\"\n        },\n        pKaC: 2.26,\n        pKaN: 9.60\n    },\n    {\n        name: \"Leucine\",\n        aa3: \"Leu\",\n        aa1: \"L\",\n        sc: {\n            type: \"hydrophobic\"\n        },\n        pKaC: 2.32,\n        pKaN: 9.58\n    },\n    {\n        name: \"Lysine\",\n        aa3: \"Lys\",\n        aa1: \"K\",\n        sc: {\n            type: \"positive\",\n            pKa: 10.67\n        },\n        pKaC: 2.15,\n        pKaN: 9.16\n    },\n    {\n        name: \"Methionine\",\n        aa3: \"Met\",\n        aa1: \"M\",\n        sc: {\n            type: \"hydrophobic\"\n        },\n        pKaC: 2.16,\n        pKaN: 9.08\n    },\n    {\n        name: \"Phenylalanine\",\n        aa3: \"Phe\",\n        aa1: \"F\",\n        sc: {\n            type: \"hydrophobic\"\n        },\n        pKaC: 2.18,\n        pKaN: 9.09\n    },\n    {\n        name: \"Proline\",\n        aa3: \"Pro\",\n        aa1: \"P\",\n        sc: {\n            type: \"special\"\n        },\n        pKaC: 1.95,\n        pKaN: 10.47\n    },\n    {\n        name: \"Serine\",\n        aa3: \"Ser\",\n        aa1: \"S\",\n        sc: {\n            type: \"polar\"\n        },\n        pKaC: 2.13,\n        pKaN: 9.05\n    },\n    {\n        name: \"Threonine\",\n        aa3: \"Thr\",\n        aa1: \"T\",\n        sc: {\n            type: \"polar\"\n        },\n        pKaC: 2.20,\n        pKaN: 8.96\n    },\n    {\n        name: \"Tryptophan\",\n        aa3: \"Trp\",\n        aa1: \"W\",\n        sc: {\n            type: \"hydrophobic\"\n        },\n        pKaC: 2.38,\n        pKaN: 9.34\n    },\n    {\n        name: \"Tyrosine\",\n        aa3: \"Tyr\",\n        aa1: \"Y\",\n        sc: {\n            type: \"hydrophobic\"\n        },\n        pKaC: 2.24,\n        pKaN: 9.04\n    },\n    {\n        name: \"Valine\",\n        aa3: \"Val\",\n        aa1: \"V\",\n        sc: {\n            type: \"hydrophobic\"\n        },\n        pKaC: 2.27,\n        pKaN: 9.52\n    },\n    // Additional\n    {\n        name: \"Selenocysteine\",\n        aa3: \"Sec\",\n        aa1: \"U\"\n    },\n    {\n        name: \"Pyrrolysine\",\n        aa3: \"Pyl\",\n        aa1: \"O\"\n    },\n    // Ambiguous\n    {\n        name: \"Asparagine or aspartic acid\",\n        aa3: \"Asx\",\n        aa1: \"B\"\n    },\n    {\n        name: \"Glutamine or glutamic acid\",\n        aa3: \"Glx\",\n        aa1: \"Z\"\n    },\n    {\n        name: \"Leucine or isoleucine\",\n        aa3: \"Xle\",\n        aa1: \"J\"\n    },\n    {\n        name: \"Unspecified or unknown\",\n        aa3: \"Xaa\",\n        aa1: \"X\"\n    }\n];\n","'use strict';\n\nmodule.exports = bestResults;\n\n/* we have 2 criteria to find the best results\n 1. best match per zone based on the bestOf parameter\n 2. maxResults : maximal number of results\n */\nfunction bestResults(results, bestOf, maxResults, minSimilarity) {\n    var newResults = [];\n\n    // in order to find the bestOf we will sort by similarity and take all of them for which there is nothing in a range\n    // of the bestOf range\n\n    results.sort(function (a, b) {\n        return b.similarity - a.similarity;\n    });\n\n    if (minSimilarity) {\n        for (var i = 0; i < results.length; i++) {\n            if (results[i].similarity < minSimilarity) {\n                results = results.slice(0, i);\n                break;\n            }\n        }\n    }\n\n    if (bestOf) {\n        for (var i = 0; i < results.length; i++) {\n            for (var j = 0; j < newResults.length; j++) {\n                if (Math.abs(newResults[j].msem - results[i].msem) < (bestOf / (results[i].charge || 1))) {\n                    break;\n                }\n            }\n            if (j == newResults.length) {\n                newResults.push(results[i]);\n            }\n        }\n    } else {\n        newResults=results.slice(0);\n    }\n\n    if (maxResults) {\n        newResults = newResults.slice(0, maxResults);\n    }\n\n    return newResults;\n};\n","'use strict';\n\nexports.array = require('./array');\nexports.matrix = require('./matrix');\n","'use strict';\n\nfunction splitSequence(sequence) {\n  var aas = sequence.replace(/([A-Z])/g, ' $1').split(/ /);\n  var begin = 0;\n  while (aas[begin] === '' || aas[begin] === 'H') {\n    begin++;\n  }\n  var end = aas.length - 1;\n  while (aas[end] === 'O' || aas[end] === 'H') {\n    end--;\n  }\n  aas = aas.slice(begin, end + 1);\n  return aas;\n}\n\nmodule.exports = splitSequence;\n","'use strict';\n\n\nvar initSimilarity=require('./ProcessHelper.js').initSimilarity;\n\nvar CC = require('chemcalc');\n\n\nfunction MFProcessor(experimental, options) {\n    initSimilarity(this, options);\n    \n\n    this.options.isotopomers = 'arrayXXYY';\n    // init with options ans experimental spectrum\n    this.options.zone = this.options.zone || {};\n    if (!this.options.zone.low) this.options.zone.low = -0.5;\n    if (!this.options.zone.high) this.options.zone.high = 4.5;\n\n    if (this.options.decimalsMass) this.factorMass = Math.pow(10, this.options.decimalsMass);\n    if (this.options.decimalsPPM) this.factorPPM = Math.pow(10, this.options.decimalsPPM);\n\n    this.similarity.setPeaks1(experimental);\n}\n\nMFProcessor.prototype.process = function (mf, result) {\n    // we allow to add information on an existing result\n    result = result || {};\n    var ccResult = CC.analyseMF(mf, this.options);\n\n    var charge = Math.abs(ccResult.parts[0].charge || 1);\n    var target = ccResult.parts[0].msem || ccResult.parts[0].em;\n\n    var from, to;\n    if (this.options.from && this.options.to) {\n        from = this.options.from;\n        to = this.options.to;\n    } else {\n        from = target + this.options.zone.low / charge;\n        to = target + this.options.zone.high / charge;\n    }\n\n    if (this.widthFunction) {\n        var width=this.widthFunction(target, charge)\n        this.similarity.setTrapezoid(width.widthBottom, width.widthTop);\n    }\n\n\n    this.similarity.setFromTo(from, to);\n    this.similarity.setPeaks2(ccResult.arrayXXYY);\n\n    var similarityResult = this.similarity.getSimilarity();\n    if (!result.em) result.em = ccResult.em;\n    if (!result.info) result.info = mf;\n    if (!result.mf) result.mf = ccResult.mf;\n    if (!result.charge) result.charge = ccResult.parts[0].charge || 0;\n    if (!result.msem) result.msem = ccResult.parts[0].msem || 0;\n    result.fromTo = {from: from, to: to};\n    result.extract = similarityResult.extract2;\n    result.extractInfo = similarityResult.extractInfo2;\n    result.extractInfo = similarityResult.extractInfo2;\n    result.extractInfo = similarityResult.extractInfo2;\n    result.widthBottom = similarityResult.widthBottom;\n    result.widthTop = similarityResult.widthTop;\n    result.diff = similarityResult.diff;\n    result.similarity = Math.floor(similarityResult.similarity * 1e4) / 1e2;\n    result.color = 'hsla(' + Math.round(similarityResult.similarity * 120) + ',100%,60%,0.6)';\n    if (this.options.addExperimentalExtract) {\n        result.extractExperimental = similarityResult.extract1;\n        result.extractInfoExperimental = similarityResult.extractInfo1;\n    }\n\n    if (this.factorPPM) result.ppm = Math.round(result.ppm * this.factorPPM) / this.factorPPM;\n    if (this.factorMass) result.em = Math.round(result.em * this.factorMass) / this.factorMass;\n    if (this.factorMass && result.msem) result.msem = Math.round(result.msem * this.factorMass) / this.factorMass;\n\n    return result;\n};\n\nmodule.exports = MFProcessor;\n","'use strict';\n\nvar Similarity = require('peaks-similarity');\n\nmodule.exports.initSimilarity= function(context, options) {\n    // we will copy the options to be sure ...\n    context.options=Object.create(options || {});\n    context.widthFunction=undefined;\n    if (context.options.widthFunction) {\n        // we will create a function\n        var theFunction=[];\n        if (context.options.widthBottom) theFunction.push(\"var widthBottom=\"+context.options.widthBottom+\";\");\n        if (context.options.widthTop) theFunction.push(\"var widthTop=\"+context.options.widthTop+\";\");\n        theFunction.push(context.options.widthFunction);\n        theFunction.push(\";\");\n        theFunction.push(\"return {widthBottom: widthBottom, widthTop: widthTop};\");\n        context.widthFunction = new Function('mass', 'charge', theFunction.join(\"\\r\\n\"));\n    }\n\n    context.similarity = new Similarity({\n        widthTop: context.options.widthTop,\n        widthBottom: context.options.widthBottom,\n        common: context.options.common\n    });\n};\n","'use strict';\n\nfunction compareNumbers(a, b) {\n    return a - b;\n}\n\n/**\n * Computes the sum of the given values\n * @param {Array} values\n * @returns {number}\n */\nexports.sum = function sum(values) {\n    var sum = 0;\n    for (var i = 0; i < values.length; i++) {\n        sum += values[i];\n    }\n    return sum;\n};\n\n/**\n * Computes the maximum of the given values\n * @param {Array} values\n * @returns {number}\n */\nexports.max = function max(values) {\n    var max = values[0];\n    var l = values.length;\n    for (var i = 1; i < l; i++) {\n        if (values[i] > max) max = values[i];\n    }\n    return max;\n};\n\n/**\n * Computes the minimum of the given values\n * @param {Array} values\n * @returns {number}\n */\nexports.min = function min(values) {\n    var min = values[0];\n    var l = values.length;\n    for (var i = 1; i < l; i++) {\n        if (values[i] < min) min = values[i];\n    }\n    return min;\n};\n\n/**\n * Computes the min and max of the given values\n * @param {Array} values\n * @returns {{min: number, max: number}}\n */\nexports.minMax = function minMax(values) {\n    var min = values[0];\n    var max = values[0];\n    var l = values.length;\n    for (var i = 1; i < l; i++) {\n        if (values[i] < min) min = values[i];\n        if (values[i] > max) max = values[i];\n    }\n    return {\n        min: min,\n        max: max\n    };\n};\n\n/**\n * Computes the arithmetic mean of the given values\n * @param {Array} values\n * @returns {number}\n */\nexports.arithmeticMean = function arithmeticMean(values) {\n    var sum = 0;\n    var l = values.length;\n    for (var i = 0; i < l; i++) {\n        sum += values[i];\n    }\n    return sum / l;\n};\n\n/**\n * {@link arithmeticMean}\n */\nexports.mean = exports.arithmeticMean;\n\n/**\n * Computes the geometric mean of the given values\n * @param {Array} values\n * @returns {number}\n */\nexports.geometricMean = function geometricMean(values) {\n    var mul = 1;\n    var l = values.length;\n    for (var i = 0; i < l; i++) {\n        mul *= values[i];\n    }\n    return Math.pow(mul, 1 / l);\n};\n\n/**\n * Computes the mean of the log of the given values\n * If the return value is exponentiated, it gives the same result as the\n * geometric mean.\n * @param {Array} values\n * @returns {number}\n */\nexports.logMean = function logMean(values) {\n    var lnsum = 0;\n    var l = values.length;\n    for (var i = 0; i < l; i++) {\n        lnsum += Math.log(values[i]);\n    }\n    return lnsum / l;\n};\n\n/**\n * Computes the weighted grand mean for a list of means and sample sizes\n * @param {Array} means - Mean values for each set of samples\n * @param {Array} samples - Number of original values for each set of samples\n * @returns {number}\n */\nexports.grandMean = function grandMean(means, samples) {\n    var sum = 0;\n    var n = 0;\n    var l = means.length;\n    for (var i = 0; i < l; i++) {\n        sum += samples[i] * means[i];\n        n += samples[i];\n    }\n    return sum / n;\n};\n\n/**\n * Computes the truncated mean of the given values using a given percentage\n * @param {Array} values\n * @param {number} percent - The percentage of values to keep (range: [0,1])\n * @param {boolean} [alreadySorted=false]\n * @returns {number}\n */\nexports.truncatedMean = function truncatedMean(values, percent, alreadySorted) {\n    if (alreadySorted === undefined) alreadySorted = false;\n    if (!alreadySorted) {\n        values = [].concat(values).sort(compareNumbers);\n    }\n    var l = values.length;\n    var k = Math.floor(l * percent);\n    var sum = 0;\n    for (var i = k; i < (l - k); i++) {\n        sum += values[i];\n    }\n    return sum / (l - 2 * k);\n};\n\n/**\n * Computes the harmonic mean of the given values\n * @param {Array} values\n * @returns {number}\n */\nexports.harmonicMean = function harmonicMean(values) {\n    var sum = 0;\n    var l = values.length;\n    for (var i = 0; i < l; i++) {\n        if (values[i] === 0) {\n            throw new RangeError('value at index ' + i + 'is zero');\n        }\n        sum += 1 / values[i];\n    }\n    return l / sum;\n};\n\n/**\n * Computes the contraharmonic mean of the given values\n * @param {Array} values\n * @returns {number}\n */\nexports.contraHarmonicMean = function contraHarmonicMean(values) {\n    var r1 = 0;\n    var r2 = 0;\n    var l = values.length;\n    for (var i = 0; i < l; i++) {\n        r1 += values[i] * values[i];\n        r2 += values[i];\n    }\n    if (r2 < 0) {\n        throw new RangeError('sum of values is negative');\n    }\n    return r1 / r2;\n};\n\n/**\n * Computes the median of the given values\n * @param {Array} values\n * @param {boolean} [alreadySorted=false]\n * @returns {number}\n */\nexports.median = function median(values, alreadySorted) {\n    if (alreadySorted === undefined) alreadySorted = false;\n    if (!alreadySorted) {\n        values = [].concat(values).sort(compareNumbers);\n    }\n    var l = values.length;\n    var half = Math.floor(l / 2);\n    if (l % 2 === 0) {\n        return (values[half - 1] + values[half]) * 0.5;\n    } else {\n        return values[half];\n    }\n};\n\n/**\n * Computes the variance of the given values\n * @param {Array} values\n * @param {boolean} [unbiased=true] - if true, divide by (n-1); if false, divide by n.\n * @returns {number}\n */\nexports.variance = function variance(values, unbiased) {\n    if (unbiased === undefined) unbiased = true;\n    var theMean = exports.mean(values);\n    var theVariance = 0;\n    var l = values.length;\n\n    for (var i = 0; i < l; i++) {\n        var x = values[i] - theMean;\n        theVariance += x * x;\n    }\n\n    if (unbiased) {\n        return theVariance / (l - 1);\n    } else {\n        return theVariance / l;\n    }\n};\n\n/**\n * Computes the standard deviation of the given values\n * @param {Array} values\n * @param {boolean} [unbiased=true] - if true, divide by (n-1); if false, divide by n.\n * @returns {number}\n */\nexports.standardDeviation = function standardDeviation(values, unbiased) {\n    return Math.sqrt(exports.variance(values, unbiased));\n};\n\nexports.standardError = function standardError(values) {\n    return exports.standardDeviation(values) / Math.sqrt(values.length);\n};\n\n/**\n * IEEE Transactions on biomedical engineering, vol. 52, no. 1, january 2005, p. 76-\n * Calculate the standard deviation via the Median of the absolute deviation\n *  The formula for the standard deviation only holds for Gaussian random variables.\n * @returns {{mean: number, stdev: number}}\n */\nexports.robustMeanAndStdev = function robustMeanAndStdev(y) {\n    var mean = 0, stdev = 0;\n    var length = y.length, i = 0;\n    for (i = 0; i < length; i++) {\n        mean += y[i];\n    }\n    mean /= length;\n    var averageDeviations = new Array(length);\n    for (i = 0; i < length; i++)\n        averageDeviations[i] = Math.abs(y[i] - mean);\n    averageDeviations.sort(compareNumbers);\n    if (length % 2 === 1) {\n        stdev = averageDeviations[(length - 1) / 2] / 0.6745;\n    } else {\n        stdev = 0.5 * (averageDeviations[length / 2] + averageDeviations[length / 2 - 1]) / 0.6745;\n    }\n\n    return {\n        mean: mean,\n        stdev: stdev\n    };\n};\n\nexports.quartiles = function quartiles(values, alreadySorted) {\n    if (typeof (alreadySorted) === 'undefined') alreadySorted = false;\n    if (!alreadySorted) {\n        values = [].concat(values).sort(compareNumbers);\n    }\n\n    var quart = values.length / 4;\n    var q1 = values[Math.ceil(quart) - 1];\n    var q2 = exports.median(values, true);\n    var q3 = values[Math.ceil(quart * 3) - 1];\n\n    return {q1: q1, q2: q2, q3: q3};\n};\n\nexports.pooledStandardDeviation = function pooledStandardDeviation(samples, unbiased) {\n    return Math.sqrt(exports.pooledVariance(samples, unbiased));\n};\n\nexports.pooledVariance = function pooledVariance(samples, unbiased) {\n    if (typeof (unbiased) === 'undefined') unbiased = true;\n    var sum = 0;\n    var length = 0, l = samples.length;\n    for (var i = 0; i < l; i++) {\n        var values = samples[i];\n        var vari = exports.variance(values);\n\n        sum += (values.length - 1) * vari;\n\n        if (unbiased)\n            length += values.length - 1;\n        else\n            length += values.length;\n    }\n    return sum / length;\n};\n\nexports.mode = function mode(values) {\n    var l = values.length,\n        itemCount = new Array(l),\n        i;\n    for (i = 0; i < l; i++) {\n        itemCount[i] = 0;\n    }\n    var itemArray = new Array(l);\n    var count = 0;\n\n    for (i = 0; i < l; i++) {\n        var index = itemArray.indexOf(values[i]);\n        if (index >= 0)\n            itemCount[index]++;\n        else {\n            itemArray[count] = values[i];\n            itemCount[count] = 1;\n            count++;\n        }\n    }\n\n    var maxValue = 0, maxIndex = 0;\n    for (i = 0; i < count; i++) {\n        if (itemCount[i] > maxValue) {\n            maxValue = itemCount[i];\n            maxIndex = i;\n        }\n    }\n\n    return itemArray[maxIndex];\n};\n\nexports.covariance = function covariance(vector1, vector2, unbiased) {\n    if (typeof (unbiased) === 'undefined') unbiased = true;\n    var mean1 = exports.mean(vector1);\n    var mean2 = exports.mean(vector2);\n\n    if (vector1.length !== vector2.length)\n        throw 'Vectors do not have the same dimensions';\n\n    var cov = 0, l = vector1.length;\n    for (var i = 0; i < l; i++) {\n        var x = vector1[i] - mean1;\n        var y = vector2[i] - mean2;\n        cov += x * y;\n    }\n\n    if (unbiased)\n        return cov / (l - 1);\n    else\n        return cov / l;\n};\n\nexports.skewness = function skewness(values, unbiased) {\n    if (typeof (unbiased) === 'undefined') unbiased = true;\n    var theMean = exports.mean(values);\n\n    var s2 = 0, s3 = 0, l = values.length;\n    for (var i = 0; i < l; i++) {\n        var dev = values[i] - theMean;\n        s2 += dev * dev;\n        s3 += dev * dev * dev;\n    }\n    var m2 = s2 / l;\n    var m3 = s3 / l;\n\n    var g = m3 / (Math.pow(m2, 3 / 2.0));\n    if (unbiased) {\n        var a = Math.sqrt(l * (l - 1));\n        var b = l - 2;\n        return (a / b) * g;\n    } else {\n        return g;\n    }\n};\n\nexports.kurtosis = function kurtosis(values, unbiased) {\n    if (typeof (unbiased) === 'undefined') unbiased = true;\n    var theMean = exports.mean(values);\n    var n = values.length, s2 = 0, s4 = 0;\n\n    for (var i = 0; i < n; i++) {\n        var dev = values[i] - theMean;\n        s2 += dev * dev;\n        s4 += dev * dev * dev * dev;\n    }\n    var m2 = s2 / n;\n    var m4 = s4 / n;\n\n    if (unbiased) {\n        var v = s2 / (n - 1);\n        var a = (n * (n + 1)) / ((n - 1) * (n - 2) * (n - 3));\n        var b = s4 / (v * v);\n        var c = ((n - 1) * (n - 1)) / ((n - 2) * (n - 3));\n\n        return a * b - 3 * c;\n    } else {\n        return m4 / (m2 * m2) - 3;\n    }\n};\n\nexports.entropy = function entropy(values, eps) {\n    if (typeof (eps) === 'undefined') eps = 0;\n    var sum = 0, l = values.length;\n    for (var i = 0; i < l; i++)\n        sum += values[i] * Math.log(values[i] + eps);\n    return -sum;\n};\n\nexports.weightedMean = function weightedMean(values, weights) {\n    var sum = 0, l = values.length;\n    for (var i = 0; i < l; i++)\n        sum += values[i] * weights[i];\n    return sum;\n};\n\nexports.weightedStandardDeviation = function weightedStandardDeviation(values, weights) {\n    return Math.sqrt(exports.weightedVariance(values, weights));\n};\n\nexports.weightedVariance = function weightedVariance(values, weights) {\n    var theMean = exports.weightedMean(values, weights);\n    var vari = 0, l = values.length;\n    var a = 0, b = 0;\n\n    for (var i = 0; i < l; i++) {\n        var z = values[i] - theMean;\n        var w = weights[i];\n\n        vari += w * (z * z);\n        b += w;\n        a += w * w;\n    }\n\n    return vari * (b / (b * b - a));\n};\n\nexports.center = function center(values, inPlace) {\n    if (typeof (inPlace) === 'undefined') inPlace = false;\n\n    var result = values;\n    if (!inPlace)\n        result = [].concat(values);\n\n    var theMean = exports.mean(result), l = result.length;\n    for (var i = 0; i < l; i++)\n        result[i] -= theMean;\n};\n\nexports.standardize = function standardize(values, standardDev, inPlace) {\n    if (typeof (standardDev) === 'undefined') standardDev = exports.standardDeviation(values);\n    if (typeof (inPlace) === 'undefined') inPlace = false;\n    var l = values.length;\n    var result = inPlace ? values : new Array(l);\n    for (var i = 0; i < l; i++)\n        result[i] = values[i] / standardDev;\n    return result;\n};\n\nexports.cumulativeSum = function cumulativeSum(array) {\n    var l = array.length;\n    var result = new Array(l);\n    result[0] = array[0];\n    for (var i = 1; i < l; i++)\n        result[i] = result[i - 1] + array[i];\n    return result;\n};\n","/**\n * Promise wrapper for superagent\n */\n\nfunction wrap(superagent, Promise) {\n  /**\n   * Request object similar to superagent.Request, but with end() returning\n   * a promise.\n   */\n  function PromiseRequest() {\n    superagent.Request.apply(this, arguments);\n  }\n\n  // Inherit form superagent.Request\n  PromiseRequest.prototype = Object.create(superagent.Request.prototype);\n\n  /** Send request and get a promise that `end` was emitted */\n  PromiseRequest.prototype.end = function(cb) {\n    var _end = superagent.Request.prototype.end;\n    var self = this;\n\n    return new Promise(function(accept, reject) {\n      _end.call(self, function(err, response) {\n        if (cb) {\n          cb(err, response);\n        }\n\n        if (err) {\n          err.response = response;\n          reject(err);\n        } else {\n          accept(response);\n        }\n      });\n    });\n  };\n\n  /** Provide a more promise-y interface */\n  PromiseRequest.prototype.then = function(resolve, reject) {\n    var _end = superagent.Request.prototype.end;\n    var self = this;\n\n    return new Promise(function(accept, reject) {\n      _end.call(self, function(err, response) {\n        if (err) {\n          err.response = response;\n          reject(err);\n        } else {\n          accept(response);\n        }\n      });\n    }).then(resolve, reject);\n  };\n\n  /**\n   * Request builder with same interface as superagent.\n   * It is convenient to import this as `request` in place of superagent.\n   */\n  var request = function(method, url) {\n    return new PromiseRequest(method, url);\n  };\n\n  /** Helper for making an options request */\n  request.options = function(url) {\n    return request('OPTIONS', url);\n  }\n\n  /** Helper for making a head request */\n  request.head = function(url, data) {\n    var req = request('HEAD', url);\n    if (data) {\n      req.send(data);\n    }\n    return req;\n  };\n\n  /** Helper for making a get request */\n  request.get = function(url, data) {\n    var req = request('GET', url);\n    if (data) {\n      req.query(data);\n    }\n    return req;\n  };\n\n  /** Helper for making a post request */\n  request.post = function(url, data) {\n    var req = request('POST', url);\n    if (data) {\n      req.send(data);\n    }\n    return req;\n  };\n\n  /** Helper for making a put request */\n  request.put = function(url, data) {\n    var req = request('PUT', url);\n    if (data) {\n      req.send(data);\n    }\n    return req;\n  };\n\n  /** Helper for making a patch request */\n  request.patch = function(url, data) {\n    var req = request('PATCH', url);\n    if (data) {\n      req.send(data);\n    }\n    return req;\n  };\n\n  /** Helper for making a delete request */\n  request.del = function(url) {\n    return request('DELETE', url);\n  };\n\n  // Export the request builder\n  return request;\n}\n\nmodule.exports = wrap;\n","/**\n * Root reference for iframes.\n */\n\nlet root;\nif (typeof window !== 'undefined') { // Browser window\n  root = window;\n} else if (typeof self !== 'undefined') { // Web Worker\n  root = self;\n} else { // Other environments\n  console.warn(\"Using browser-only version of superagent in non-browser environment\");\n  root = this;\n}\n\nconst Emitter = require('component-emitter');\nconst RequestBase = require('./request-base');\nconst isObject = require('./is-object');\nconst ResponseBase = require('./response-base');\nconst Agent = require('./agent-base');\n\n/**\n * Noop.\n */\n\nfunction noop(){};\n\n/**\n * Expose `request`.\n */\n\nconst request = exports = module.exports = function(method, url) {\n  // callback\n  if ('function' == typeof url) {\n    return new exports.Request('GET', method).end(url);\n  }\n\n  // url first\n  if (1 == arguments.length) {\n    return new exports.Request('GET', method);\n  }\n\n  return new exports.Request(method, url);\n};\n\nexports.Request = Request;\n\n/**\n * Determine XHR.\n */\n\nrequest.getXHR = () => {\n  if (root.XMLHttpRequest\n      && (!root.location || 'file:' != root.location.protocol\n          || !root.ActiveXObject)) {\n    return new XMLHttpRequest;\n  } else {\n    try { return new ActiveXObject('Microsoft.XMLHTTP'); } catch(e) {}\n    try { return new ActiveXObject('Msxml2.XMLHTTP.6.0'); } catch(e) {}\n    try { return new ActiveXObject('Msxml2.XMLHTTP.3.0'); } catch(e) {}\n    try { return new ActiveXObject('Msxml2.XMLHTTP'); } catch(e) {}\n  }\n  throw Error(\"Browser-only version of superagent could not find XHR\");\n};\n\n/**\n * Removes leading and trailing whitespace, added to support IE.\n *\n * @param {String} s\n * @return {String}\n * @api private\n */\n\nconst trim = ''.trim\n  ? s => s.trim()\n  : s => s.replace(/(^\\s*|\\s*$)/g, '');\n\n/**\n * Serialize the given `obj`.\n *\n * @param {Object} obj\n * @return {String}\n * @api private\n */\n\nfunction serialize(obj) {\n  if (!isObject(obj)) return obj;\n  const pairs = [];\n  for (const key in obj) {\n    pushEncodedKeyValuePair(pairs, key, obj[key]);\n  }\n  return pairs.join('&');\n}\n\n/**\n * Helps 'serialize' with serializing arrays.\n * Mutates the pairs array.\n *\n * @param {Array} pairs\n * @param {String} key\n * @param {Mixed} val\n */\n\nfunction pushEncodedKeyValuePair(pairs, key, val) {\n  if (val != null) {\n    if (Array.isArray(val)) {\n      val.forEach(v => {\n        pushEncodedKeyValuePair(pairs, key, v);\n      });\n    } else if (isObject(val)) {\n      for(const subkey in val) {\n        pushEncodedKeyValuePair(pairs, `${key}[${subkey}]`, val[subkey]);\n      }\n    } else {\n      pairs.push(encodeURIComponent(key)\n        + '=' + encodeURIComponent(val));\n    }\n  } else if (val === null) {\n    pairs.push(encodeURIComponent(key));\n  }\n}\n\n/**\n * Expose serialization method.\n */\n\nrequest.serializeObject = serialize;\n\n/**\n  * Parse the given x-www-form-urlencoded `str`.\n  *\n  * @param {String} str\n  * @return {Object}\n  * @api private\n  */\n\nfunction parseString(str) {\n  const obj = {};\n  const pairs = str.split('&');\n  let pair;\n  let pos;\n\n  for (let i = 0, len = pairs.length; i < len; ++i) {\n    pair = pairs[i];\n    pos = pair.indexOf('=');\n    if (pos == -1) {\n      obj[decodeURIComponent(pair)] = '';\n    } else {\n      obj[decodeURIComponent(pair.slice(0, pos))] =\n        decodeURIComponent(pair.slice(pos + 1));\n    }\n  }\n\n  return obj;\n}\n\n/**\n * Expose parser.\n */\n\nrequest.parseString = parseString;\n\n/**\n * Default MIME type map.\n *\n *     superagent.types.xml = 'application/xml';\n *\n */\n\nrequest.types = {\n  html: 'text/html',\n  json: 'application/json',\n  xml: 'text/xml',\n  urlencoded: 'application/x-www-form-urlencoded',\n  'form': 'application/x-www-form-urlencoded',\n  'form-data': 'application/x-www-form-urlencoded'\n};\n\n/**\n * Default serialization map.\n *\n *     superagent.serialize['application/xml'] = function(obj){\n *       return 'generated xml here';\n *     };\n *\n */\n\nrequest.serialize = {\n  'application/x-www-form-urlencoded': serialize,\n  'application/json': JSON.stringify\n};\n\n/**\n  * Default parsers.\n  *\n  *     superagent.parse['application/xml'] = function(str){\n  *       return { object parsed from str };\n  *     };\n  *\n  */\n\nrequest.parse = {\n  'application/x-www-form-urlencoded': parseString,\n  'application/json': JSON.parse\n};\n\n/**\n * Parse the given header `str` into\n * an object containing the mapped fields.\n *\n * @param {String} str\n * @return {Object}\n * @api private\n */\n\nfunction parseHeader(str) {\n  const lines = str.split(/\\r?\\n/);\n  const fields = {};\n  let index;\n  let line;\n  let field;\n  let val;\n\n  for (let i = 0, len = lines.length; i < len; ++i) {\n    line = lines[i];\n    index = line.indexOf(':');\n    if (index === -1) { // could be empty line, just skip it\n      continue;\n    }\n    field = line.slice(0, index).toLowerCase();\n    val = trim(line.slice(index + 1));\n    fields[field] = val;\n  }\n\n  return fields;\n}\n\n/**\n * Check if `mime` is json or has +json structured syntax suffix.\n *\n * @param {String} mime\n * @return {Boolean}\n * @api private\n */\n\nfunction isJSON(mime) {\n  // should match /json or +json\n  // but not /json-seq\n  return /[\\/+]json($|[^-\\w])/.test(mime);\n}\n\n/**\n * Initialize a new `Response` with the given `xhr`.\n *\n *  - set flags (.ok, .error, etc)\n *  - parse header\n *\n * Examples:\n *\n *  Aliasing `superagent` as `request` is nice:\n *\n *      request = superagent;\n *\n *  We can use the promise-like API, or pass callbacks:\n *\n *      request.get('/').end(function(res){});\n *      request.get('/', function(res){});\n *\n *  Sending data can be chained:\n *\n *      request\n *        .post('/user')\n *        .send({ name: 'tj' })\n *        .end(function(res){});\n *\n *  Or passed to `.send()`:\n *\n *      request\n *        .post('/user')\n *        .send({ name: 'tj' }, function(res){});\n *\n *  Or passed to `.post()`:\n *\n *      request\n *        .post('/user', { name: 'tj' })\n *        .end(function(res){});\n *\n * Or further reduced to a single call for simple cases:\n *\n *      request\n *        .post('/user', { name: 'tj' }, function(res){});\n *\n * @param {XMLHTTPRequest} xhr\n * @param {Object} options\n * @api private\n */\n\nfunction Response(req) {\n  this.req = req;\n  this.xhr = this.req.xhr;\n  // responseText is accessible only if responseType is '' or 'text' and on older browsers\n  this.text = ((this.req.method !='HEAD' && (this.xhr.responseType === '' || this.xhr.responseType === 'text')) || typeof this.xhr.responseType === 'undefined')\n     ? this.xhr.responseText\n     : null;\n  this.statusText = this.req.xhr.statusText;\n  let status = this.xhr.status;\n  // handle IE9 bug: http://stackoverflow.com/questions/10046972/msie-returns-status-code-of-1223-for-ajax-request\n  if (status === 1223) {\n    status = 204;\n  }\n  this._setStatusProperties(status);\n  this.header = this.headers = parseHeader(this.xhr.getAllResponseHeaders());\n  // getAllResponseHeaders sometimes falsely returns \"\" for CORS requests, but\n  // getResponseHeader still works. so we get content-type even if getting\n  // other headers fails.\n  this.header['content-type'] = this.xhr.getResponseHeader('content-type');\n  this._setHeaderProperties(this.header);\n\n  if (null === this.text && req._responseType) {\n    this.body = this.xhr.response;\n  } else {\n    this.body = this.req.method != 'HEAD'\n      ? this._parseBody(this.text ? this.text : this.xhr.response)\n      : null;\n  }\n}\n\nResponseBase(Response.prototype);\n\n/**\n * Parse the given body `str`.\n *\n * Used for auto-parsing of bodies. Parsers\n * are defined on the `superagent.parse` object.\n *\n * @param {String} str\n * @return {Mixed}\n * @api private\n */\n\nResponse.prototype._parseBody = function(str) {\n  let parse = request.parse[this.type];\n  if (this.req._parser) {\n    return this.req._parser(this, str);\n  }\n  if (!parse && isJSON(this.type)) {\n    parse = request.parse['application/json'];\n  }\n  return parse && str && (str.length || str instanceof Object)\n    ? parse(str)\n    : null;\n};\n\n/**\n * Return an `Error` representative of this response.\n *\n * @return {Error}\n * @api public\n */\n\nResponse.prototype.toError = function(){\n  const req = this.req;\n  const method = req.method;\n  const url = req.url;\n\n  const msg = `cannot ${method} ${url} (${this.status})`;\n  const err = new Error(msg);\n  err.status = this.status;\n  err.method = method;\n  err.url = url;\n\n  return err;\n};\n\n/**\n * Expose `Response`.\n */\n\nrequest.Response = Response;\n\n/**\n * Initialize a new `Request` with the given `method` and `url`.\n *\n * @param {String} method\n * @param {String} url\n * @api public\n */\n\nfunction Request(method, url) {\n  const self = this;\n  this._query = this._query || [];\n  this.method = method;\n  this.url = url;\n  this.header = {}; // preserves header name case\n  this._header = {}; // coerces header names to lowercase\n  this.on('end', () => {\n    let err = null;\n    let res = null;\n\n    try {\n      res = new Response(self);\n    } catch(e) {\n      err = new Error('Parser is unable to parse the response');\n      err.parse = true;\n      err.original = e;\n      // issue #675: return the raw response if the response parsing fails\n      if (self.xhr) {\n        // ie9 doesn't have 'response' property\n        err.rawResponse = typeof self.xhr.responseType == 'undefined' ? self.xhr.responseText : self.xhr.response;\n        // issue #876: return the http status code if the response parsing fails\n        err.status = self.xhr.status ? self.xhr.status : null;\n        err.statusCode = err.status; // backwards-compat only\n      } else {\n        err.rawResponse = null;\n        err.status = null;\n      }\n\n      return self.callback(err);\n    }\n\n    self.emit('response', res);\n\n    let new_err;\n    try {\n      if (!self._isResponseOK(res)) {\n        new_err = new Error(res.statusText || 'Unsuccessful HTTP response');\n      }\n    } catch(custom_err) {\n      new_err = custom_err; // ok() callback can throw\n    }\n\n    // #1000 don't catch errors from the callback to avoid double calling it\n    if (new_err) {\n      new_err.original = err;\n      new_err.response = res;\n      new_err.status = res.status;\n      self.callback(new_err, res);\n    } else {\n      self.callback(null, res);\n    }\n  });\n}\n\n/**\n * Mixin `Emitter` and `RequestBase`.\n */\n\nEmitter(Request.prototype);\nRequestBase(Request.prototype);\n\n/**\n * Set Content-Type to `type`, mapping values from `request.types`.\n *\n * Examples:\n *\n *      superagent.types.xml = 'application/xml';\n *\n *      request.post('/')\n *        .type('xml')\n *        .send(xmlstring)\n *        .end(callback);\n *\n *      request.post('/')\n *        .type('application/xml')\n *        .send(xmlstring)\n *        .end(callback);\n *\n * @param {String} type\n * @return {Request} for chaining\n * @api public\n */\n\nRequest.prototype.type = function(type){\n  this.set('Content-Type', request.types[type] || type);\n  return this;\n};\n\n/**\n * Set Accept to `type`, mapping values from `request.types`.\n *\n * Examples:\n *\n *      superagent.types.json = 'application/json';\n *\n *      request.get('/agent')\n *        .accept('json')\n *        .end(callback);\n *\n *      request.get('/agent')\n *        .accept('application/json')\n *        .end(callback);\n *\n * @param {String} accept\n * @return {Request} for chaining\n * @api public\n */\n\nRequest.prototype.accept = function(type){\n  this.set('Accept', request.types[type] || type);\n  return this;\n};\n\n/**\n * Set Authorization field value with `user` and `pass`.\n *\n * @param {String} user\n * @param {String} [pass] optional in case of using 'bearer' as type\n * @param {Object} options with 'type' property 'auto', 'basic' or 'bearer' (default 'basic')\n * @return {Request} for chaining\n * @api public\n */\n\nRequest.prototype.auth = function(user, pass, options){\n  if (1 === arguments.length) pass = '';\n  if (typeof pass === 'object' && pass !== null) { // pass is optional and can be replaced with options\n    options = pass;\n    pass = '';\n  }\n  if (!options) {\n    options = {\n      type: 'function' === typeof btoa ? 'basic' : 'auto',\n    };\n  }\n\n  const encoder = string => {\n    if ('function' === typeof btoa) {\n      return btoa(string);\n    }\n    throw new Error('Cannot use basic auth, btoa is not a function');\n  };\n\n  return this._auth(user, pass, options, encoder);\n};\n\n/**\n * Add query-string `val`.\n *\n * Examples:\n *\n *   request.get('/shoes')\n *     .query('size=10')\n *     .query({ color: 'blue' })\n *\n * @param {Object|String} val\n * @return {Request} for chaining\n * @api public\n */\n\nRequest.prototype.query = function(val){\n  if ('string' != typeof val) val = serialize(val);\n  if (val) this._query.push(val);\n  return this;\n};\n\n/**\n * Queue the given `file` as an attachment to the specified `field`,\n * with optional `options` (or filename).\n *\n * ``` js\n * request.post('/upload')\n *   .attach('content', new Blob(['<a id=\"a\"><b id=\"b\">hey!</b></a>'], { type: \"text/html\"}))\n *   .end(callback);\n * ```\n *\n * @param {String} field\n * @param {Blob|File} file\n * @param {String|Object} options\n * @return {Request} for chaining\n * @api public\n */\n\nRequest.prototype.attach = function(field, file, options){\n  if (file) {\n    if (this._data) {\n      throw Error(\"superagent can't mix .send() and .attach()\");\n    }\n\n    this._getFormData().append(field, file, options || file.name);\n  }\n  return this;\n};\n\nRequest.prototype._getFormData = function(){\n  if (!this._formData) {\n    this._formData = new root.FormData();\n  }\n  return this._formData;\n};\n\n/**\n * Invoke the callback with `err` and `res`\n * and handle arity check.\n *\n * @param {Error} err\n * @param {Response} res\n * @api private\n */\n\nRequest.prototype.callback = function(err, res){\n  if (this._shouldRetry(err, res)) {\n    return this._retry();\n  }\n\n  const fn = this._callback;\n  this.clearTimeout();\n\n  if (err) {\n    if (this._maxRetries) err.retries = this._retries - 1;\n    this.emit('error', err);\n  }\n\n  fn(err, res);\n};\n\n/**\n * Invoke callback with x-domain error.\n *\n * @api private\n */\n\nRequest.prototype.crossDomainError = function(){\n  const err = new Error('Request has been terminated\\nPossible causes: the network is offline, Origin is not allowed by Access-Control-Allow-Origin, the page is being unloaded, etc.');\n  err.crossDomain = true;\n\n  err.status = this.status;\n  err.method = this.method;\n  err.url = this.url;\n\n  this.callback(err);\n};\n\n// This only warns, because the request is still likely to work\nRequest.prototype.buffer = Request.prototype.ca = Request.prototype.agent = function(){\n  console.warn(\"This is not supported in browser version of superagent\");\n  return this;\n};\n\n// This throws, because it can't send/receive data as expected\nRequest.prototype.pipe = Request.prototype.write = () => {\n  throw Error(\"Streaming is not supported in browser version of superagent\");\n};\n\n/**\n * Check if `obj` is a host object,\n * we don't want to serialize these :)\n *\n * @param {Object} obj\n * @return {Boolean}\n * @api private\n */\nRequest.prototype._isHost = function _isHost(obj) {\n  // Native objects stringify to [object File], [object Blob], [object FormData], etc.\n  return obj && 'object' === typeof obj && !Array.isArray(obj) && Object.prototype.toString.call(obj) !== '[object Object]';\n}\n\n/**\n * Initiate request, invoking callback `fn(res)`\n * with an instanceof `Response`.\n *\n * @param {Function} fn\n * @return {Request} for chaining\n * @api public\n */\n\nRequest.prototype.end = function(fn){\n  if (this._endCalled) {\n    console.warn(\"Warning: .end() was called twice. This is not supported in superagent\");\n  }\n  this._endCalled = true;\n\n  // store callback\n  this._callback = fn || noop;\n\n  // querystring\n  this._finalizeQueryString();\n\n  this._end();\n};\n\nRequest.prototype._end = function() {\n  if (this._aborted) return this.callback(Error(\"The request has been aborted even before .end() was called\"));\n\n  const self = this;\n  const xhr = (this.xhr = request.getXHR());\n  let data = this._formData || this._data;\n\n  this._setTimeouts();\n\n  // state change\n  xhr.onreadystatechange = () => {\n    const readyState = xhr.readyState;\n    if (readyState >= 2 && self._responseTimeoutTimer) {\n      clearTimeout(self._responseTimeoutTimer);\n    }\n    if (4 != readyState) {\n      return;\n    }\n\n    // In IE9, reads to any property (e.g. status) off of an aborted XHR will\n    // result in the error \"Could not complete the operation due to error c00c023f\"\n    let status;\n    try { status = xhr.status } catch(e) { status = 0; }\n\n    if (!status) {\n      if (self.timedout || self._aborted) return;\n      return self.crossDomainError();\n    }\n    self.emit('end');\n  };\n\n  // progress\n  const handleProgress = (direction, e) => {\n    if (e.total > 0) {\n      e.percent = e.loaded / e.total * 100;\n    }\n    e.direction = direction;\n    self.emit('progress', e);\n  };\n  if (this.hasListeners('progress')) {\n    try {\n      xhr.onprogress = handleProgress.bind(null, 'download');\n      if (xhr.upload) {\n        xhr.upload.onprogress = handleProgress.bind(null, 'upload');\n      }\n    } catch(e) {\n      // Accessing xhr.upload fails in IE from a web worker, so just pretend it doesn't exist.\n      // Reported here:\n      // https://connect.microsoft.com/IE/feedback/details/837245/xmlhttprequest-upload-throws-invalid-argument-when-used-from-web-worker-context\n    }\n  }\n\n  // initiate request\n  try {\n    if (this.username && this.password) {\n      xhr.open(this.method, this.url, true, this.username, this.password);\n    } else {\n      xhr.open(this.method, this.url, true);\n    }\n  } catch (err) {\n    // see #1149\n    return this.callback(err);\n  }\n\n  // CORS\n  if (this._withCredentials) xhr.withCredentials = true;\n\n  // body\n  if (!this._formData && 'GET' != this.method && 'HEAD' != this.method && 'string' != typeof data && !this._isHost(data)) {\n    // serialize stuff\n    const contentType = this._header['content-type'];\n    let serialize = this._serializer || request.serialize[contentType ? contentType.split(';')[0] : ''];\n    if (!serialize && isJSON(contentType)) {\n      serialize = request.serialize['application/json'];\n    }\n    if (serialize) data = serialize(data);\n  }\n\n  // set header fields\n  for (const field in this.header) {\n    if (null == this.header[field]) continue;\n\n    if (this.header.hasOwnProperty(field))\n      xhr.setRequestHeader(field, this.header[field]);\n  }\n\n  if (this._responseType) {\n    xhr.responseType = this._responseType;\n  }\n\n  // send stuff\n  this.emit('request', this);\n\n  // IE11 xhr.send(undefined) sends 'undefined' string as POST payload (instead of nothing)\n  // We need null here if data is undefined\n  xhr.send(typeof data !== 'undefined' ? data : null);\n};\n\nrequest.agent = () => new Agent();\n\n[\"GET\", \"POST\", \"OPTIONS\", \"PATCH\", \"PUT\", \"DELETE\"].forEach(method => {\n  Agent.prototype[method.toLowerCase()] = function(url, fn) {\n    const req = new request.Request(method, url);\n    this._setDefaults(req);\n    if (fn) {\n      req.end(fn);\n    }\n    return req;\n  };\n});\n\nAgent.prototype.del = Agent.prototype['delete'];\n\n/**\n * GET `url` with optional callback `fn(res)`.\n *\n * @param {String} url\n * @param {Mixed|Function} [data] or fn\n * @param {Function} [fn]\n * @return {Request}\n * @api public\n */\n\nrequest.get = (url, data, fn) => {\n  const req = request('GET', url);\n  if ('function' == typeof data) (fn = data), (data = null);\n  if (data) req.query(data);\n  if (fn) req.end(fn);\n  return req;\n};\n\n/**\n * HEAD `url` with optional callback `fn(res)`.\n *\n * @param {String} url\n * @param {Mixed|Function} [data] or fn\n * @param {Function} [fn]\n * @return {Request}\n * @api public\n */\n\nrequest.head = (url, data, fn) => {\n  const req = request('HEAD', url);\n  if ('function' == typeof data) (fn = data), (data = null);\n  if (data) req.query(data);\n  if (fn) req.end(fn);\n  return req;\n};\n\n/**\n * OPTIONS query to `url` with optional callback `fn(res)`.\n *\n * @param {String} url\n * @param {Mixed|Function} [data] or fn\n * @param {Function} [fn]\n * @return {Request}\n * @api public\n */\n\nrequest.options = (url, data, fn) => {\n  const req = request('OPTIONS', url);\n  if ('function' == typeof data) (fn = data), (data = null);\n  if (data) req.send(data);\n  if (fn) req.end(fn);\n  return req;\n};\n\n/**\n * DELETE `url` with optional `data` and callback `fn(res)`.\n *\n * @param {String} url\n * @param {Mixed} [data]\n * @param {Function} [fn]\n * @return {Request}\n * @api public\n */\n\nfunction del(url, data, fn) {\n  const req = request('DELETE', url);\n  if ('function' == typeof data) (fn = data), (data = null);\n  if (data) req.send(data);\n  if (fn) req.end(fn);\n  return req;\n}\n\nrequest['del'] = del;\nrequest['delete'] = del;\n\n/**\n * PATCH `url` with optional `data` and callback `fn(res)`.\n *\n * @param {String} url\n * @param {Mixed} [data]\n * @param {Function} [fn]\n * @return {Request}\n * @api public\n */\n\nrequest.patch = (url, data, fn) => {\n  const req = request('PATCH', url);\n  if ('function' == typeof data) (fn = data), (data = null);\n  if (data) req.send(data);\n  if (fn) req.end(fn);\n  return req;\n};\n\n/**\n * POST `url` with optional `data` and callback `fn(res)`.\n *\n * @param {String} url\n * @param {Mixed} [data]\n * @param {Function} [fn]\n * @return {Request}\n * @api public\n */\n\nrequest.post = (url, data, fn) => {\n  const req = request('POST', url);\n  if ('function' == typeof data) (fn = data), (data = null);\n  if (data) req.send(data);\n  if (fn) req.end(fn);\n  return req;\n};\n\n/**\n * PUT `url` with optional `data` and callback `fn(res)`.\n *\n * @param {String} url\n * @param {Mixed|Function} [data] or fn\n * @param {Function} [fn]\n * @return {Request}\n * @api public\n */\n\nrequest.put = (url, data, fn) => {\n  const req = request('PUT', url);\n  if ('function' == typeof data) (fn = data), (data = null);\n  if (data) req.send(data);\n  if (fn) req.end(fn);\n  return req;\n};\n","'use strict';\n\n/**\n * Check if `obj` is an object.\n *\n * @param {Object} obj\n * @return {Boolean}\n * @api private\n */\n\nfunction isObject(obj) {\n  return null !== obj && 'object' === typeof obj;\n}\n\nmodule.exports = isObject;\n","var request = require('superagent-promise')(require('superagent'), Promise);\nvar Papa = require('papaparse');\nvar CC = require('chemcalc');\nvar combineMFs = require('./combineMFs');\n\nfunction getReferenceList(url, urlReferences) {\n\n    if (urlReferences) {\n        return Promise.all([\n            request.get(url).end(),\n            request.get(urlReferences).end()\n        ]).then(function (results) {\n            return parse(results[0].text, results[1].text);\n        });\n    } else {\n        return Promise.all([\n            request.get(url).end()\n        ]).then(function (results) {\n            return parse(results[0].text);\n        });\n    }\n    \n    function parse(tsv, tsvReferences) {\n        var contaminants=Papa.parse(tsv,\n            {\n                delimiter:\"\\t\",\n                header: true\n            }\n        ).data.filter( (e) => e.mf);\n\n        if (tsvReferences) {\n            var referencesArray=Papa.parse(tsvReferences,\n                {\n                    delimiter:\"\\t\",\n                    header: true\n                }\n            ).data;\n\n            var references={};\n            referencesArray.forEach(\n                function(ref) {\n                    references[ref.label]=ref;\n                }\n            );   \n        }\n        \n        var results=[];\n\n        for (var contaminant of contaminants) {\n            if (tsvReferences) {\n                // we add references\n                var refs=contaminant.references.split(/[ ,]+/);\n                contaminant.references=[];\n                for (var ref of refs) {\n                    contaminant.references.push(\n                        references[ref]\n                    );\n                }   \n            }\n\n            // we need to calculate all the possibilities\n            var mfs=combineMFs([contaminant.mf, contaminant.modif]);\n            for (var mf of mfs) {\n                mf.info=contaminant;\n                if (! contaminant.ESI && ! contaminant.MALDI && ! contaminant.positive && ! contaminant.negative) {\n                    mf.ESI = true;\n                    mf.MALDI=true;\n                    mf.positive=true;\n                    mf.negative=true;\n                } else {\n                    mf.ESI = contaminant.ESI==='X' ? true : false;\n                    mf.MALDI = contaminant.MALDI==='X' ? true : false;\n                    mf.positive = contaminant.positive==='X' ? true : false;\n                    mf.negative = contaminant.negative==='X' ? true : false;\n                }\n                mf.similarity='';\n                mf.mf=CC.analyseMF(mf.mf).mf;\n                results.push(mf)\n            }\n        }\n\n        results=results.filter(function(a) {\n            return a.msem!==0;\n        })\n\n        results.sort(function(a,b) {\n            return a.msem-b.msem;\n        });\n\n\n\n        var uniqueResults=[results[0]];\n        for (var i=1; i<results.length; i++) {\n            if (results[i-1].msem!==results[i].msem) {\n                uniqueResults.push(results[i]);\n            }\n        }\n\n        return uniqueResults;\n    }\n}\n\nmodule.exports = getReferenceList;\n\n\n\n","'use strict';\n\nvar CC = require('chemcalc');\nvar removeMFLastPart = require('./util/removeMFLastPart.js');\n\n\n// TODO replace from the value coming from chemcalc\nvar ELECTRON_MASS=5.4857990946e-4;\n\n/**\n *\n * @param keys\n * @param options\n * @param {number} [options.limit=1000000] - Maximum number of results\n * @param {number} [options.minMass=0] - Minimal monoisotopic mass\n * @param {number} [options.maxMass=+Infinity] - Maximal monoisotopic mass\n * @param {number} [options.minMSMass=0] - Minimal observed monoisotopic mass\n * @param {number} [options.maxMSMass=+Infinity] - Maximal observed monoisotopic mass\n * @param {number} [options.minCharge=-Infinity] - Minimal charge\n * @param {number} [options.maxCharge=+Infinity] - Maximal charge\n * @returns {Array}\n */\n\nfunction combineMFs (keys, options) {\n\n    options=Object.assign({}, {\n        limit:1000000,\n        minCharge:Number.NEGATIVE_INFINITY,\n        maxCharge:Number.POSITIVE_INFINITY\n    }, options);\n    if (!Array.isArray(keys)) return [];\n\n\n    // we allow String delimited by \". , or ;\" instead of an array\n    for (var i = 0; i < keys.length; i++) {\n        if (!Array.isArray(keys[i])) {\n            keys[i] = keys[i].split(/[\\.,;]/);\n        }\n    }\n\n    // we allow ranges in a string ...\n    // problem with ranges is that we need to now to what the range applies\n    for (var i = 0; i < keys.length; i++) {\n        var parts=keys[i];\n        var newParts=[];\n        for (var j=0; j<parts.length; j++) {\n            var part=parts[j];\n            var comment=part.replace(/^([^$]*\\$|.*)/, '');\n            part = part.replace(/\\$.*/, '');\n\n            if (~part.indexOf('-')) { // there are ranges ... we are in trouble !\n                newParts=newParts.concat(processRange(part,comment));\n            } else {\n                newParts.push(parts[j]); // the part with the comments !\n            }\n        }\n        keys[i]=newParts;\n    }\n\n    var results = [];\n    var sizes = new Array(keys.length);\n    var currents = new Array(keys.length);\n    for (var i = 0; i < keys.length; i++) {\n        sizes[i] = keys[i].length - 1;\n        currents[i] = 0;\n    }\n    var position = 0;\n    var evolution = 0;\n\n    while (position < currents.length) {\n        if (currents[position] < sizes[position]) {\n            evolution++;\n            appendResult(results, currents, keys, options);\n            currents[position]++;\n            for (var i = 0; i < position; i++) {\n                currents[i] = 0;\n            }\n            position = 0;\n        } else {\n            position++;\n        }\n        if (evolution>options.limit) {\n            throw new Error('You have reached the limit of '+options.limit+'. You could still change this value using options.limit but it is likely to crash.');\n        }\n    }\n    appendResult(results, currents, keys, options);\n    return results;\n}\n\nmodule.exports = combineMFs;\n\nvar ems={};\n\nfunction getEM(mf) {\n    if (! ems[mf]) {\n        // we need to calculate based on the mf\n        var info=CC.analyseMF(mf);\n        ems[mf]={\n            em: info.em,\n            charge: info.parts[0].charge || 0\n        }\n    }\n    return {\n        em: ems[mf].em,\n        charge: ems[mf].charge\n    }\n}\n\nfunction getEMFromParts(parts, currents) {\n    var charge=0;\n    var em=0;\n\n    for (var i = 0; i < parts.length; i++) {\n        var part = parts[i][currents[i]];\n        if (part) {\n            var info=getEM(part);\n            charge+=info.charge;\n            em+=info.em;\n        }\n    }\n    var msem=em;\n    if (charge>0) {\n        msem=msem/charge-ELECTRON_MASS;\n    } else if (charge<0) {\n        msem=msem/(charge*-1)+ELECTRON_MASS;\n    } else {\n        msem=0;\n    }\n    return {\n        charge: charge,\n        em: em,\n        msem: msem\n    }\n}\n\nfunction appendResult(results, currents, keys, options) {\n    // this script is designed to combine molecular formula\n    // that may contain comments after a \"$\" sign\n    // therefore we should put all the comments at the ned\n\n    var info=getEMFromParts(keys, currents);\n\n    var em=info.em;\n    var msem=info.msem;\n    var charge=info.charge;\n\n    if ( (typeof options.minMass!=='undefined' && em<options.minMass)\n        || (typeof options.maxMass!=='undefined' && em>options.maxMass)) return;\n    if ( (typeof options.minMSMass!=='undefined' && msem<options.minMSMass)\n        || (typeof options.maxMSMass!=='undefined' && msem>options.maxMSMass)) return;\n    if (charge<options.minCharge || charge>options.maxCharge) return;\n\n    var result = {mf: ''};\n    var comments = [];\n\n    result.em=em;\n    result.msem=msem;\n    result.charge=charge;\n\n    for (var i = 0; i < keys.length; i++) {\n        var key = keys[i][currents[i]];\n        if (key) {\n            result['part' + (i + 1)] = key;\n            if (key.indexOf('$') > -1) {\n                comments.push(key.replace(/^[^$]*\\$/, ''));\n                key = key.replace(/\\$.*/, '');\n            }\n            result.mf += key;\n        }\n    }\n\n\n\n\n\n    if (comments.length > 0) result.mf += '$' + comments.join(' ');\n\n    results.push(result);\n}\n\nfunction processRange(string, comment) {\n    var results=[];\n    var parts=string.split(/([0-9]+-[0-9]+)/).filter(function(value) { if (value) return value });\n    var position=-1;\n    var mfs=[];\n    for (var i=0; i<parts.length; i++) {\n        var part=parts[i];\n        if (!~part.search(/[0-9]-[0-9]/)) {\n            position++;\n            mfs[position]={\n                mf:part,\n                min:1,\n                max:1\n            }\n        } else {\n            mfs[position].min=part.replace(/^(-?[0-9]*)-(-?[0-9]*)/,\"$1\")>>0;\n            mfs[position].max=part.replace(/^(-?[0-9]*)-(-?[0-9]*)/,\"$2\")>>0;\n        }\n    }\n\n    var currents = new Array(mfs.length);\n    for (var i = 0; i < currents.length; i++) {\n        currents[i] = mfs[i].min;\n    }\n    var position = 0;\n    while (position < currents.length) {\n        if (currents[position] < mfs[position].max) {\n            results.push(getMF(mfs, currents, comment));\n            currents[position]++;\n            for (var i = 0; i < position; i++) {\n                currents[i] = mfs[i].min;\n            }\n            position = 0;\n        } else {\n            position++;\n        }\n    }\n    results.push(getMF(mfs, currents, comment));\n    return results;\n}\n\nfunction getMF(mfs, currents, comment) {\n    var mf=\"\";\n    for (var i=0; i<mfs.length; i++) {\n        if (currents[i]===0) {\n            // TODO we need to remove from currents[i] till we reach another part of the MF\n            mf+=removeMFLastPart(mfs[i].mf);\n        } else {\n            mf+=mfs[i].mf;\n            if (currents[i]!==1) {\n                mf+=currents[i];\n            }\n        }\n    }\n    if (comment) mf+=\"$\"+comment;\n    return mf;\n}\n\n\n","var types = require('./types');\n\nvar INTS = function() {\n return [{ type: types.RANGE , from: 48, to: 57 }];\n};\n\nvar WORDS = function() {\n return [\n    { type: types.CHAR, value: 95 },\n    { type: types.RANGE, from: 97, to: 122 },\n    { type: types.RANGE, from: 65, to: 90 }\n  ].concat(INTS());\n};\n\nvar WHITESPACE = function() {\n return [\n    { type: types.CHAR, value: 9 },\n    { type: types.CHAR, value: 10 },\n    { type: types.CHAR, value: 11 },\n    { type: types.CHAR, value: 12 },\n    { type: types.CHAR, value: 13 },\n    { type: types.CHAR, value: 32 },\n    { type: types.CHAR, value: 160 },\n    { type: types.CHAR, value: 5760 },\n    { type: types.CHAR, value: 6158 },\n    { type: types.CHAR, value: 8192 },\n    { type: types.CHAR, value: 8193 },\n    { type: types.CHAR, value: 8194 },\n    { type: types.CHAR, value: 8195 },\n    { type: types.CHAR, value: 8196 },\n    { type: types.CHAR, value: 8197 },\n    { type: types.CHAR, value: 8198 },\n    { type: types.CHAR, value: 8199 },\n    { type: types.CHAR, value: 8200 },\n    { type: types.CHAR, value: 8201 },\n    { type: types.CHAR, value: 8202 },\n    { type: types.CHAR, value: 8232 },\n    { type: types.CHAR, value: 8233 },\n    { type: types.CHAR, value: 8239 },\n    { type: types.CHAR, value: 8287 },\n    { type: types.CHAR, value: 12288 },\n    { type: types.CHAR, value: 65279 }\n  ];\n};\n\nvar NOTANYCHAR = function() {\n  return [\n    { type: types.CHAR, value: 10 },\n    { type: types.CHAR, value: 13 },\n    { type: types.CHAR, value: 8232 },\n    { type: types.CHAR, value: 8233 },\n  ];\n};\n\n// Predefined class objects.\nexports.words = function() {\n  return { type: types.SET, set: WORDS(), not: false };\n};\n\nexports.notWords = function() {\n  return { type: types.SET, set: WORDS(), not: true };\n};\n\nexports.ints = function() {\n  return { type: types.SET, set: INTS(), not: false };\n};\n\nexports.notInts = function() {\n  return { type: types.SET, set: INTS(), not: true };\n};\n\nexports.whitespace = function() {\n  return { type: types.SET, set: WHITESPACE(), not: false };\n};\n\nexports.notWhitespace = function() {\n  return { type: types.SET, set: WHITESPACE(), not: true };\n};\n\nexports.anyChar = function() {\n  return { type: types.SET, set: NOTANYCHAR(), not: true };\n};\n","'use strict';\n\nvar initSimilarity=require('./ProcessHelper.js').initSimilarity;\n\n\n/*\n  We calculate the similarity between an experimental spectrum and a specific XY\n */\n\n\n\nfunction SimilarityProcessor(experimental, options) {\n    initSimilarity(this, options);\n\n\n    this.similarity.setPeaks1(experimental);\n}\n\nSimilarityProcessor.prototype.process = function (spectrum, from, to) {\n\n    if (this.widthFunction) {\n        var width=this.widthFunction(spectrum[0][0])\n        this.similarity.setTrapezoid(width.widthBottom, width.widthTop);\n    }\n\n    return this.similarity.fastSimilarity(spectrum, from, to);\n};\n\nmodule.exports = SimilarityProcessor;\n","'use strict';\n\nvar CC = require('chemcalc');\nvar PEP = require('peptide');\n\nvar bestResults = exports.bestResults = require('./bestResults');\nvar MFProcessor = exports.MFProcessor = require('./MFProcessor');\nvar getPubchemStats = require('./getPubchemStats');\nvar mfFromMonoisotopicMassPubchemPromise = require('./mfFromMonoisotopicMassPubchemPromise');\n\nexports.getContaminantsReferenceList = require('./getContaminantsReferenceList');\nexports.getReferenceList = require('./getReferenceList');\n\nexports.combineMFs = require('./combineMFs');\nexports.enumerateMF = require('./enumerateMF');\nexports.SimilarityProcessor = require('./SimilarityProcessor');\nexports.MFSimilarityProcessor = require('./MFSimilarityProcessor');\nvar massPeakPicking = require('./massPeakPicking');\n\nif (typeof self !== 'undefined') {\n    exports.MFProcessorWorker = require('./MFProcessorWorker');\n}\n\nvar CE = exports;\n\nCE.analyseMF = require('./analyseMF');\nCE.getInfo = CC.getInfo;\nCE.mfFromMonoisotopicMass = CC.mfFromMonoisotopicMass;\n\n\n\n/*\n mfFromMonoisotopicMassSimilarity\n We will extend mfFromMonoisotopicMass in order to include in the options:\n * experimental : an array of [[x1,y1],[x2,y2],...] or [[x1,x2,x3,...][y1,y2,y3,...]]\n * widthTop : top width of the trapezoid\n * widthBottom : bottom width of the trapezoid\n * from : mass \"from\" which calculate the similarity\n * to : mass \"to\" which calculate the similarity\n * As an alternative the from / to parameters can be calculated based target mass\n *\n * decimalsPPM : number of decimals for PPM\n * decimalsMass : number odecimals for the mass\n */\n// TODO : May not be moved (and create it's own file) because it also has to work inside a worker !!!!!\nCE.mfFromMonoisotopicMassSimilarity = function mfFromMonoisotopicMassSimilarity (mass, experimental, options) {\n    var mfResults = CC.mfFromMonoisotopicMass(mass, options);\n    var processor = new MFProcessor(experimental, options);\n\n    var results = mfResults.results;\n    for (var i = 0; i < results.length; i++) {\n        var result = results[i];\n        processor.process(result.mf.value || result.mf, result);\n    }\n    mfResults.extractExperimental = processor.similarity.getExtract1();\n\n    mfResults.results = bestResults(results, options.bestOf, options.maxResults, options.minSimilarity);\n    return mfResults;\n};\n\n\nCE.pubchemStats={};\nCE.getPubchemStats=function (id) {\n    id = id || '25_C-H.C-N.C-O.C-S.C-P.C-FClBr.O-P.O-S.CCNP-HFClBr';\n    if (CE.pubchemStats[id]) return Promise.resolve(CE.pubchemStats[id]);\n    return getPubchemStats(id).then(function(value) {\n        CE.pubchemStats[id]=value;\n        return value;\n    });\n};\n\nCE.mfFromMonoisotopicMassPubchemPromise = function (mass, options) {\n    return CE.getPubchemStats().then( function(pubchemStats) {\n        return mfFromMonoisotopicMassPubchemPromise(mass, pubchemStats, options);\n    });\n}\n\nCE.matchMFs = function (mfsArray, experimental, options) {\n    options = options || {};\n    options.addExperimentalExtract = true;\n    options.maxResults = options.maxResults || 500;\n    options.minSimilarity = (isNaN(options.minSimilarity)) ? 50 : options.minSimilarity;\n\n    var processor = new MFProcessor(experimental, options);\n    var mfs = CE.combineMFs(mfsArray);\n\n    var results = [];\n    for (var i = 0; i < mfs.length; i++) {\n        var result = processor.process(mfs[i].mf);\n        results.push(result);\n        result.parts = mfs[i];\n        if (results.length > options.maxResults * 2) {\n            results = bestResults(results, options.bestOf, options.maxResults, options.minSimilarity);\n        }\n    }\n    results = bestResults(results, options.bestOf, options.maxResults, options.minSimilarity);\n    return {options: options, results: results};\n};\n\nCE.getEutrophicationPotential = function (mf) {\n    var chemcalc = CC.analyseMF(mf);\n    var atoms = chemcalc.parts[0].ea;\n    var mw = chemcalc.mw;\n    var nC = 0, nO = 0, nN = 0, nP = 0, nH = 0;\n    for (var i = 0; i < atoms.length; i++) {\n        var atom = atoms[i];\n        switch (atom.element) {\n            case 'C':\n                nC = atom.number;\n                break;\n            case 'N':\n                nN = atom.number;\n                break;\n            case 'O':\n                nO = atom.number;\n                break;\n            case 'H':\n                nH = atom.number;\n                break;\n            case 'P':\n                nP = atom.number;\n                break;\n            default:\n                return {log: 'EP can not be calculated because the MF contains the element: ' + atom.element};\n        }\n    }\n\n    var vRef = 1;\n    var mwRef = 94.97;\n\n    var thOD = nC + (nH - 3 * nN) / 4 - nO / 2;\n    var v = nP + nN / 16 + thOD / 138;\n    var ep = (v / mw) / (vRef / mwRef);\n\n    return {\n        v: v,\n        thOD: thOD,\n        ep: ep,\n        mf: {type: 'mf', value: mf},\n        mw: chemcalc.mw,\n        log: 'Successful calculation'\n    };\n};\n\n\nCE.convertAASequence = PEP.convertAASequence;\n\nCE.chargePeptide = PEP.chargePeptide;\n\nCE.generatePeptideFragments = PEP.generatePeptideFragments;\n\nCE.splitPeptide = PEP.splitPeptide;\n\nCE.digestPeptide = PEP.digestPeptide;\n\nCE.massPeakPicking = massPeakPicking;\n\nCE.allowNeutralLoss = PEP.allowNeutralLoss","var g;\n\n// This works in non-strict mode\ng = (function() {\n\treturn this;\n})();\n\ntry {\n\t// This works if eval is allowed (see CSP)\n\tg = g || new Function(\"return this\")();\n} catch (e) {\n\t// This works if the window reference is available\n\tif (typeof window === \"object\") g = window;\n}\n\n// g can still be undefined, but nothing to do about it...\n// We return undefined, instead of nothing here, so it's\n// easier to handle this case. if(!global) { ...}\n\nmodule.exports = g;\n","'use strict';\n\nvar aa = require('./aminoAcids');\nvar IEP = require('./isoElectricPoint');\nvar chargePeptide = require('./chargePeptide');\nvar allowNeutralLoss = require('./allowNeutralLoss');\nvar splitPeptide = require('./splitPeptide');\nvar digestPeptide = require('./digestPeptide');\nvar generatePeptideFragments = require('./generatePeptideFragments');\n\nexports.getInfo = function () {\n    return aa;\n}\n\n// sequence should be in the \"right\" format like HAlaGlyProOH\n\nexports.splitPeptide=splitPeptide;\nexports.digestPeptide=digestPeptide;\n\nexports.calculateIEP = function (sequence) {\n    var aas=splitPeptide(sequence);\n    var result=IEP.calculateIEP(aas);\n    return result;\n}\n\nexports.calculateIEPChart = function (sequence) {\n    var aas=splitPeptide(sequence);\n    var result=IEP.calculateChart(aas);\n    return result;\n}\n\n\nexports.getColorForIEP = function (iep) {\n    return IEP.getColor(iep);\n}\n\nexports.calculateCharge = function (sequence, ph) {\n    var aas=splitPeptide(sequence);\n    return IEP.calculateCharge(aas, ph);\n}\n\nexports.generatePeptideFragments = generatePeptideFragments;\n\nexports.chargePeptide = chargePeptide;\nexports.allowNeutralLoss = allowNeutralLoss;\n\nfunction aa1To3(code) {\n    for (var i = 0; i < aa.length; i++) {\n        if (aa[i].aa1 === code) {\n            return aa[i].aa3;\n        }\n    }\n    throw new Error('Invalid 1 letter code: ' + code);\n}\n\nfunction converAA1To3(mf) {\n    var newmf = '';\n    for (var i = 0; i < mf.length; i++) {\n        newmf += aa1To3(mf.charAt(i));\n    }\n    return newmf;\n}\n\nfunction capitalizeAA3(mf) {\n    for (var i = 0; i < aa.length; i++) {\n        var regexp = new RegExp(aa[i].aa3, 'gi');\n        mf = mf.replace(regexp, aa[i].aa3);\n    }\n    return mf;\n}\n\nfunction convertAASequence(mf) {\n    // this function will check if it is a sequence of aa in 1 letter or 3 letters and convert them if it is the case\n    // it could be a multiline mf !\n    // if it is a multiline we could make some \"tricks\" ...\n    var newmf = mf;\n    // SEQRES   1 B  256  MET PRO VAL GLU ILE THR VAL LYS GLU LEU LEU GLU ALA\n    // SEQRES   2 B  256  GLY VAL HIS PHE GLY HIS GLU ARG LYS ARG TRP ASN PRO\n    // or\n    // MET PRO VAL GLU ILE THR VAL LYS GLU LEU LEU GLU ALA\n    // GLY VAL HIS PHE GLY HIS GLU ARG LYS ARG TRP ASN PRO\n    if (mf.search(/[A-Z]{3} [A-Z]{3} [A-Z]{3}/) > -1) {\n        // this is a PDB !\n        var tmpmf = mf.replace(/[\\r\\n]+/g, ' ');\n        tmpmf = tmpmf.replace(/(SEQRES|[0-9]+| [A-Z] | [0-9A-Z]{4-50})/g, '');\n        // we need to correct the uppercase / lowercase\n        var parts = tmpmf.split(' ');\n        newmf = 'H';\n        for (var i = 0; i < parts.length; i++) {\n            newmf += parts[i].substr(0, 1) + parts[i].substr(1).toLowerCase();\n        }\n        newmf += 'OH';\n    } else if ((mf.search(/[A-Z]{3}/) > -1) && (mf.search(/[a-zA-Z][a-z0-9]/) == -1)) {\n        // UNIPROT\n        //   370        380        390        400        410        420\n        //GFKPNLRKTF VSGLFRESCG AHFYRGVDVK PFYIKKPVDN LFALMLILNR LRGWGVVGGM\n        //\n        //    430        440        450        460        470        480\n        //SDPRLYKVWV RLSSQVPSMF FGGTDLAADY YVVSPPTAVS VYTKTPYGRL LADTRTSGFR\n        // We remove all the number, all the spaces, etc\n        newmf = 'H' + converAA1To3(newmf.replace(/[^A-Z]/g, '')) + 'OH';\n    }\n\n    return newmf;\n\n};\n\nexports.convertAASequence = convertAASequence;\n\nexports.sequenceToMF = convertAASequence;\n\n","'use strict';\n\n\nvar aa = require('./aminoAcids');\n\n// we will convert the data to an object to be much faster\nvar aaObject={};\nfor (var i=0; i<aa.length; i++) {\n    aaObject[aa[i].aa3]=aa[i];\n}\n\n\n\nfunction calculateCharge(aas, pH) {\n    if (! pH) pH=7.0;\n    var combined=combine(aas);\n    if (!combined) return;\n    var charge=calculateForPh(combined, pH);\n    return Math.round(charge*1000)/1000;\n}\n\n// this methods required an array of aas\n\nfunction calculateIEP(aas) {\n    var combined=combine(aas);\n    if (!combined) return;\n    var first=0;\n    var last=14;\n    var current=14;\n    var previous=0;\n    var currentCharge;\n    while (Math.abs(current-previous)>0.0001) {\n        previous=current;\n        current=(last + first) / 2;\n        currentCharge=calculateForPh(combined, current);\n        if (currentCharge>0) {\n            first=current;\n        } else if (currentCharge<0) {\n            last=current;\n        } else {\n            previous=current;\n        }\n    }\n    return Math.round(current*1000)/1000;\n}\n\nfunction calculateChart(aas) {\n    var combined=combine(aas);\n    if (!combined) return;\n    var y=[];\n    var x=[];\n    var yAbs=[];\n    for (var i=0; i<=14; i=i+0.01) {\n        var charge=calculateForPh(combined, i);\n        x.push(i);\n        y.push(charge);\n        yAbs.push(Math.abs(charge));\n    }\n    combined.x=x;\n    combined.y=y;\n    combined.yAbs=yAbs;\n\n    return combined;\n}\n\n\nfunction calculateForPh(combined, pH) {\n    var total=0;\n    total+=1/(1+Math.pow(10,pH-combined.first));\n    total+=-1/(1+Math.pow(10,combined.last-pH));\n    for (var key in combined.acid) {\n        total+=-combined.acid[key]/(1+Math.pow(10,aaObject[key].sc.pKa-pH));\n    }\n    for (var key in combined.basic) {\n        total+=combined.basic[key]/(1+Math.pow(10,pH-aaObject[key].sc.pKa));\n    }\n    return total;\n}\n\n// we will combine the amino acids\nfunction combine(aas) {\n    var combined={};\n    if (aaObject[aas[0]]) {\n        combined.first=aaObject[aas[0]].pKaN;\n    } else {\n        return;\n    }\n    if (aaObject[aas[aas.length-1]]) {\n        combined.last=aaObject[aas[aas.length-1]].pKaC;\n    } else {\n        return;\n    }\n    combined.basic={};\n    combined.acid={};\n    for (var i=0; i<aas.length; i++) {\n        var aa=aas[i];\n        if (! aaObject[aa]) return;\n        if (aaObject[aa].sc && aaObject[aa].sc.type) {\n            if (aaObject[aa].sc.type==\"positive\") {\n                if (!combined.basic[aa]) {\n                    combined.basic[aa] = 0;\n                }\n                combined.basic[aa]++;\n            } else if (aaObject[aa].sc.type==\"negative\") {\n                if (!combined.acid[aa]) {\n                    combined.acid[aa] = 0;\n                }\n                combined.acid[aa]++;\n            }\n        }\n    }\n    return combined;\n}\n\n/*\n We can generate a color based on iep\n 0 -> 7 means that at pH 7 it is charged negatively (blue)\n 7 -> 14 means that at pH7 it is charged positively (red)\n */\nfunction getColor(iep) {\n    if (iep<7) {\n        if (iep<3) iep=3;\n        var white=Math.round(255-(7-iep)*(200/4));\n        return \"rgb(\"+white+\",\"+white+\",255)\";\n    } else if (iep>7) {\n        if (iep>11) iep=11;\n        var white=Math.round(255-(iep-7)*(200/4));\n        return \"rgb(255,\"+white+\",\"+white+\")\";\n    }\n    return \"rgb(255,255,255)\";\n}\n\nmodule.exports={\n    calculateIEP: calculateIEP,\n    calculateCharge: calculateCharge,\n    calculateChart: calculateChart,\n    getColor: getColor\n}\n\n","'use strict';\n\nvar getAA = require('./getAA');\n\n// SOURCE: https://en.wikipedia.org/wiki/Amino_acid\n\nfunction chargePeptide(mf, options) {\n    var options=options || {};\n    if (options.pH === undefined) options.pH=0;\n    if (Array.isArray(mf)) {\n        for (var i=0; i<mf.length; i++) {\n            mf[i]=chargeOnePeptide(mf[i], options);\n        }\n        return mf;\n    } else {\n        return chargeOnePeptide(mf, options);\n    }\n}\n\nfunction chargeOnePeptide(mf, options) {\n    var pH=options.pH;\n    // we will allow to charge the peptide at a specific pH\n\n    // first amino acids (N-terminal)\n    if (mf.match(/^H[A-Z][a-z]{2}/)) {\n        var firstAA=mf.replace(/^H([A-Z][a-z]{2}).*/,\"$1\");\n        if (getAA(firstAA) && pH<getAA(firstAA).pKaN) {\n            mf=mf.replace(/^H([^+])/, 'H+H$1');\n        }\n    }\n\n    // last amino acids (C-terminal)\n    if (mf.match(/[A-Z][a-z]{2}OH$/)) {\n        var lastAA=mf.replace(/.*([A-Z][a-z]{2})OH$/,\"$1\");\n        if (getAA(firstAA) && pH>getAA(firstAA).pKaC) {\n            mf=mf.replace(/OH$/, 'O-');\n        }\n    }\n\n    // basic AA\n    if (pH < getAA('Arg').sc.pKa) mf=mf.replace(/(Arg)(?!\\()/g, '$1(H+)');\n    if (pH < getAA('His').sc.pKa) mf=mf.replace(/(His)(?!\\()/g, '$1(H+)');\n    if (pH < getAA('Lys').sc.pKa) mf=mf.replace(/(Lys)(?!\\()/g, '$1(H+)');\n\n    // acid AA\n    if (pH > getAA('Asp').sc.pKa) mf=mf.replace(/(Asp)(?!\\()/g, '$1(H-1-)');\n    if (pH > getAA('Glu').sc.pKa) mf=mf.replace(/(Glu)(?!\\()/g, '$1(H-1-)');\n\n    if (pH > getAA('Cys').sc.pKa) mf=mf.replace(/(Cys)(?!\\()/g, '$1(H-1-)');\n\n    return mf;\n};\n\nmodule.exports = chargePeptide;\n\n","'use strict';\n\nvar aa = require('./aminoAcids');\n\nfunction getAA(code) {\n    if (code.length===1) {\n        for (var i = 0; i < aa.length; i++) {\n            if (aa[i].aa1 === code) {\n                return aa[i];\n            }\n        }\n    }\n    if (code.length===3) {\n        for (var i = 0; i < aa.length; i++) {\n            if (aa[i].aa3 === code) {\n                return aa[i];\n            }\n        }\n    }\n}\n\nmodule.exports = getAA;","\nfunction allowNeutralLoss(mf, options) {\n    if (Array.isArray(mf)) {\n        for (var i=0; i<mf.length; i++) {\n            mf[i]=allowOneNeutralLoss(mf[i], options);\n        }\n        return mf;\n    } else {\n        return allowOneNeutralLoss(mf, options);\n    }\n}\n\nfunction allowOneNeutralLoss(mf, options) {\n    mf=mf.replace(/(Ser|Thr|Asp|Glu)(?!\\()/g, '$1(H-2O-1)0-1');\n    mf=mf.replace(/(Arg|Lys|Asn|Gln)(?!\\()/g, '$1(N-1H-3)0-1');\n\n    return mf;\n};\n\nmodule.exports = allowNeutralLoss;\n\n","'use strict';\n\nvar splitSequence = require('./splitPeptide');\n\n/*\nIotuibs:\n* minMissed (default: 0)\n* maxMissed (default: 0)\n* minResidue: 0;\n* maxResidue: infinity\n* enzyme: chymotrypsin, trypsin, glucph4, glucph8, thermolysin, cyanogenbromide : Mandatory, no default value !\n */\n\nfunction digestSequence(sequence, options) {\n  var options = options || {};\n\n  sequence = sequence.replace(/^H([^a-z])/, '$1').replace(/OH$/, '');\n\n  options.enzyme = options.enzyme || 'trypsin';\n  if (options.minMissed === undefined) options.minMissed = 0;\n  if (options.maxMissed === undefined) options.maxMissed = 0;\n  if (options.minResidue === undefined) options.minResidue = 0;\n  if (options.maxResidue === undefined) options.maxResidue = Number.MAX_VALUE;\n  var regexp = getRegexp(options.enzyme);\n  var fragments = sequence\n    .replace(regexp, '$1 ')\n    .split(/ /)\n    .filter(entry => entry);\n\n  var from = 0;\n  for (var i = 0; i < fragments.length; i++) {\n    var nbResidue = fragments[i]\n      .replace(/([A-Z][a-z][a-z])/g, ' $1')\n      .split(/ /)\n      .filter(entry => entry).length;\n    fragments[i] = {\n      sequence: fragments[i],\n      nbResidue: nbResidue,\n      from: from,\n      to: from + nbResidue - 1\n    };\n    from += nbResidue;\n  }\n\n  var results = [];\n\n  for (var i = 0; i < fragments.length - options.minMissed; i++) {\n    for (\n      var j = options.minMissed;\n      j <= Math.min(options.maxMissed, fragments.length - i - 1);\n      j++\n    ) {\n      var fragment = '';\n      var nbResidue = 0;\n      for (var k = i; k <= i + j; k++) {\n        fragment += fragments[k].sequence;\n        nbResidue += fragments[k].nbResidue;\n      }\n      var from = fragments[i].from + 1;\n      var to = fragments[i + j].to + 1;\n      if (\n        fragment &&\n        nbResidue >= options.minResidue &&\n        nbResidue <= options.maxResidue\n      ) {\n        results.push('H' + fragment + 'OH' + '$D' + from + '>' + to);\n      }\n    }\n  }\n\n  return results;\n}\n\nfunction getRegexp(enzyme) {\n  switch (enzyme.toLowerCase().replace(/[^a-z0-9]/g, '')) {\n    case 'chymotrypsin':\n      return /(Phe|Tyr|Trp)(?!Pro)/g;\n    case 'trypsin':\n      return /(Lys|Arg)(?!Pro)/g;\n    case 'lysc':\n      return /(Lys)(?!Pro)/g;\n    case 'glucph4':\n      return /(Glu)(?!Pro|Glu)/g;\n    case 'glucph8':\n      return /(Asp|Glu)(?!Pro|Glu)/g;\n    case 'thermolysin': // N-term of  Leu, Phe, Val, Ile, Ala, Met\n      return /()(?=Ile|Leu|Val|Ala|Met|Phe)/g;\n    case 'cyanogenbromide':\n      return /(Met)/g;\n    case 'any':\n      return /()(?=[A-Z][a-z][a-z])/g;\n  }\n  throw new Error('Digestion enzyme: ' + enzyme + ' is unknown');\n}\n\nmodule.exports = digestSequence;\n","'use strict';\n\nmodule.exports = function(mf, options) {\n    if (options === undefined) {\n        options = {\n            a: false,\n            b: true,\n            c: false,\n            x: false,\n            y: true,\n            z: false,\n            i: false,\n            ya: false,\n            yb: false,\n            yc: false,\n            zc: false\n        };\n    }\n    options.maxInternal = options.maxInternal || Number.MAX_VALUE;\n    options.minInternal = options.minInternal || 0;\n\n    var mfs = [];\n    // need to allow 0-9 to deal with neutral loss\n    var mfparts=mf.replace(/([a-z\\)0-9])([A-Z][a-z](?=[a-z]))/g,\"$1 $2\").split(/ /);\n\n    var nTerm=\"\";\n    var cTerm=\"\";\n\n    for (var i=1; i<mfparts.length; i++) {\n        nTerm+=mfparts[i-1];\n        cTerm=mfparts[mfparts.length-i]+cTerm;\n        addNTerm(mfs, nTerm, i, options);\n        addCTerm(mfs, cTerm, i, options);\n        if (options.i) mfs.push(mfparts[i]+\"HC-1O-1(+1)$i:\"+mfparts[i]);\n\n        if (options.ya || options.yb || options.yc || options.zc) { // we have double fragmentations\n            for (var j=i+1; j<Math.min(mfparts.length,options.maxInternal+i+1);j++) {\n                var iTerm='';\n                if ((j-i)>=options.minInternal) {\n                    for (var k = i; k < j; k++) {\n                        iTerm += mfparts[k];\n                    }\n                    addITerm(mfs, iTerm, mfparts.length - i, j, options);\n                }\n            }\n        }\n    }\n\n    if (mfs.length === 0) {\n        mfs = mfs.concat([mf]);\n    }\n\n    return mfs;\n\n};\n\nfunction addNTerm(mfs, nTerm, i, options) {\n    if (options.a) mfs.push(nTerm+\"C-1O-1(+1)$a\"+i);\n    if (options.b) mfs.push(nTerm+\"(+1)$b\"+i);\n    if (options.c) mfs.push(nTerm+\"NH3(+1)$c\"+i);\n}\n\nfunction addITerm(mfs, iTerm, i, j, options) {\n    if (options.ya) mfs.push(\"H\"+iTerm+\"C-1O-1(+1)$a\"+j+\"y\"+i);\n    if (options.yb) mfs.push(\"H\"+iTerm+\"(+1)$b\"+j+\"y\"+i);\n    if (options.yc) mfs.push(\"H\"+iTerm+\"NH3(+1)$c\"+j+\"y\"+i);\n    if (options.zc) mfs.push(\"N-1\"+iTerm+\"NH3(+1)$c\"+j+\"z\"+i);\n}\n\nfunction addCTerm(mfs, cTerm, i, options) {\n    if (options.x) mfs.push(\"CO(+1)\"+cTerm+\"$x\"+i);\n    if (options.y) mfs.push(\"H2(+1)\"+cTerm+\"$y\"+i);\n    if (options.z) mfs.push(\"N-1H-1(+1)\"+cTerm+\"$z\"+i);\n}\n","'use strict';\n\nvar COMMON_NO = 0;\nvar COMMON_FIRST = 1;\nvar COMMON_SECOND = 2;\nvar COMMON_BOTH = 3; // should be a binary operation !\n\nvar Stat = require('ml-stat').array;\n\n/**\n * Create a comparator class\n * {object} [options={}]\n * {string} [options.common=''] should we take only common peaks 'first', 'second', 'both', ''\n * {number} [options.widthBottom=2] bottom trapezoid width for similarity evaluation\n * {number} [options.widthTop=1] top trapezoid width for similarity evaluation\n * {number} [options.from] from region used for similarity calculation\n * {number} [options.to] to region used for similarity calculation\n */\n\nmodule.exports = function Comparator(options = {}) {\n  var widthTop, widthBottom, from, to;\n  var array1Extract, array2Extract, widthSlope, array1ExtractInfo, array2ExtractInfo;\n  var common, commonFactor;\n\n  setOptions(options);\n\n  var array1 = [];\n  var array2 = [];\n\n  /*\n     2 formats are allowed:\n     [[x1,x2,...],[y1,y2,...]] or [[x1,y1],[x2,y2], ...]\n    */\n\n  function setOptions(newOptions) {\n    options = newOptions || {};\n    if (typeof options.common === 'string') {\n      if (options.common.toLowerCase() === 'first') {\n        common = COMMON_FIRST;\n      } else if (options.common.toLowerCase() === 'second') {\n        common = COMMON_SECOND;\n      } else if (options.common.toLowerCase() === 'both') {\n        common = COMMON_BOTH;\n      } else {\n        common = COMMON_NO;\n      }\n    } else {\n      if (options.common === true) {\n        common = COMMON_BOTH;\n      } else {\n        common = COMMON_NO;\n      }\n    }\n    commonFactor = options.commonFactor || commonFactor || 4;\n\n    if (options.widthBottom === undefined) {\n      options.widthBottom = widthBottom || 2;\n    }\n    if (options.widthTop === undefined) {\n      options.widthTop = widthTop || 1;\n    }\n    setTrapezoid(options.widthBottom, options.widthTop);\n    setFromTo(options.from || from, options.to || to);\n  }\n\n  function setPeaks1(anArray) {\n    array1 = checkArray(anArray);\n\n    if (common) {\n      var extracts = commonExtractAndNormalize(array1, array2, widthBottom, from, to, common);\n      array1Extract = extracts.data1;\n      array1ExtractInfo = extracts.info1;\n      array2Extract = extracts.data2;\n      array2ExtractInfo = extracts.info2;\n    } else {\n      var extract = extractAndNormalize(array1, from, to);\n      array1Extract = extract.data;\n      array1ExtractInfo = extract.info;\n    }\n  }\n  function setPeaks2(anArray) {\n    array2 = checkArray(anArray);\n    if (common) {\n      var extracts = commonExtractAndNormalize(array1, array2, widthBottom, from, to, common);\n      array1Extract = extracts.data1;\n      array1ExtractInfo = extracts.info1;\n      array2Extract = extracts.data2;\n      array2ExtractInfo = extracts.info2;\n    } else {\n      var extract = extractAndNormalize(array2, from, to);\n      array2Extract = extract.data;\n      array2ExtractInfo = extract.info;\n    }\n  }\n\n  function getExtract1() {\n    return array1Extract;\n  }\n\n  function getExtract2() {\n    return array2Extract;\n  }\n\n\n  function getExtractInfo1() {\n    return array1ExtractInfo;\n  }\n\n  function getExtractInfo2() {\n    return array2ExtractInfo;\n  }\n\n  function setTrapezoid(newWidthBottom, newWidthTop) {\n    widthTop = newWidthTop;\n    widthBottom = newWidthBottom;\n    widthSlope = (widthBottom - widthTop) / 2;\n    if (widthBottom < widthTop) throw new Error('widthBottom has to be larger than widthTop');\n  }\n\n  function setFromTo(newFrom, newTo) {\n    if (newFrom === from && newTo === to) return;\n    from = newFrom;\n    to = newTo;\n    if (common) {\n      var extracts = commonExtractAndNormalize(array1, array2, widthBottom, from, to, common, commonFactor);\n      array1Extract = extracts.data1;\n      array1ExtractInfo = extracts.info1;\n      array2Extract = extracts.data2;\n      array2ExtractInfo = extracts.info2;\n    } else {\n      var extract = extractAndNormalize(array1, from, to);\n      array1Extract = extract.data;\n      array1ExtractInfo = extract.info;\n      extract = extractAndNormalize(array2, from, to);\n      array2Extract = extract.data;\n      array2ExtractInfo = extract.info;\n    }\n  }\n\n\n  function getOverlap(x1, y1, x2, y2) {\n    if (y1 === 0 || y2 === 0) return 0;\n\n    // TAKE CARE !!! We multiply the diff by 2 !!!\n    var diff = Math.abs(x1 - x2) * 2;\n\n    if (diff > widthBottom) return 0;\n    if (diff <= widthTop) {\n      return Math.min(y1, y2);\n    }\n\n    var maxValue = Math.max(y1, y2) * (widthBottom - diff) / (widthBottom - widthTop);\n    return Math.min(y1, y2, maxValue);\n  }\n\n  // This is the old trapezoid similarity\n  function getOverlapTrapezoid(x1, y1, x2, y2) {\n    var factor = 2 / (widthTop + widthBottom); // correction for surface=1\n    if (y1 === 0 || y2 === 0) return 0;\n    if (x1 === x2) { // they have the same position\n      return Math.min(y1, y2);\n    }\n\n    var diff = Math.abs(x1 - x2);\n    if (diff >= widthBottom) return 0;\n    if (y1 === y2) { // do they have the same height ???\n      // we need to find the common length\n      if (diff <= widthTop) {\n        return (((widthTop + widthBottom) / 2 - diff) * y1) * factor;\n      } else if (diff <= widthBottom) {\n        return (widthBottom - diff) * y1 / 2 * (diff - widthTop) / (widthBottom - widthTop) * factor;\n      }\n      return 0;\n    } else { // the height are different and not the same position ...\n      // we need to consider only one segment to find its intersection\n\n      var small = Math.min(y1, y2);\n      var big = Math.max(y1, y2);\n\n      var targets = [\n        [[0, 0], [widthSlope, small]],\n        [[widthSlope, small], [widthSlope + widthTop, small]],\n        [[widthTop + widthSlope, small], [widthBottom, 0]]\n      ];\n      var segment;\n      if ((x1 > x2 && y1 > y2) || (x1 < x2 && y1 < y2)) {\n        segment = [[diff, 0], [diff + widthSlope, big]];\n      } else {\n        segment = [[diff + widthSlope, big], [diff, 0]];\n      }\n\n\n      for (var i = 0; i < 3; i++) {\n        var intersection = getIntersection(targets[i], segment);\n        if (intersection) {\n          switch (i) {\n            case 0:\n              return small - ((diff * intersection.y / 2)) * factor;\n            case 1: // to simplify ...\n              //     console.log(\"           \",widthSlope,small,big,intersection.x)\n              return ((widthSlope * small / (2 * big)) * small +\n                                (widthTop + widthSlope - intersection.x) * small +\n                                widthSlope * small / 2) * factor;\n            case 2:\n              return ((widthBottom - diff) * intersection.y / 2) * factor;\n            default:\n              throw new Error(`unexpected intersection value: ${i}`);\n          }\n        }\n      }\n    }\n    return NaN;\n  }\n\n\n  // this method calculates the total diff. The sum of positive value will yield to overlap\n  function calculateDiff() {\n    // we need to take 2 pointers\n    // and travel progressively between them ...\n    var newFirst = [\n      [].concat(array1Extract[0]),\n      [].concat(array1Extract[1])\n    ];\n    var newSecond = [\n      [].concat(array2Extract[0]),\n      [].concat(array2Extract[1])\n    ];\n    var array1Length = array1Extract[0] ? array1Extract[0].length : 0;\n    var array2Length = array2Extract[0] ? array2Extract[0].length : 0;\n\n    var pos1 = 0;\n    var pos2 = 0;\n    var previous2 = 0;\n    while (pos1 < array1Length) {\n      var diff = newFirst[0][pos1] - array2Extract[0][pos2];\n      if (Math.abs(diff) < widthBottom) { // there is some overlap\n        var overlap;\n        if (options.trapezoid) {\n          overlap = getOverlapTrapezoid(newFirst[0][pos1], newFirst[1][pos1], newSecond[0][pos2], newSecond[1][pos2], widthTop, widthBottom);\n        } else {\n          overlap = getOverlap(newFirst[0][pos1], newFirst[1][pos1], newSecond[0][pos2], newSecond[1][pos2], widthTop, widthBottom);\n        }\n        newFirst[1][pos1] -= overlap;\n        newSecond[1][pos2] -= overlap;\n        if (pos2 < (array2Length - 1)) {\n          pos2++;\n        } else {\n          pos1++;\n          pos2 = previous2;\n        }\n      } else {\n        if (diff > 0 && pos2 < (array2Length - 1)) {\n          pos2++;\n          previous2 = pos2;\n        } else {\n          pos1++;\n          pos2 = previous2;\n        }\n      }\n    }\n    return newSecond;\n  }\n\n\n  /*\n        This code requires the use of an array like  [[x1,y1],[x2,y2], ...]\n        If it is not the right format, we will just convert it\n        Otherwise we return the correct format\n     */\n  function checkArray(points) {\n    // if it is already a 2D array of points, we just return them\n    if (Array.isArray(points) && Array.isArray(points[0]) && points.length === 2) return points;\n    var x = new Array(points.length);\n    var y = new Array(points.length);\n    for (var i = 0; i < points.length; i++) {\n      x[i] = points[i][0];\n      y[i] = points[i][1];\n    }\n    return [x, y];\n  }\n\n  function getSimilarity(newPeaks1, newPeaks2) {\n    if (newPeaks1) setPeaks1(newPeaks1);\n    if (newPeaks2) setPeaks2(newPeaks2);\n    var result = {};\n    result.diff = calculateDiff();\n    result.extract1 = getExtract1();\n    result.extract2 = getExtract2();\n    result.extractInfo1 = getExtractInfo1();\n    result.extractInfo2 = getExtractInfo2();\n    result.similarity = calculateOverlapFromDiff(result.diff);\n    result.widthBottom = widthBottom;\n    result.widthTop = widthTop;\n    return result;\n  }\n\n  /*\n    This works mainly when you have a array1 that is fixed\n    newPeaks2 have to be normalized ! (sum to 1)\n  */\n  function fastSimilarity(newPeaks2, from, to) {\n    array1Extract = extract(array1, from, to);\n    array2Extract = newPeaks2;\n    if (common & COMMON_SECOND) array1Extract = getCommonArray(array1Extract, array2Extract, widthBottom);\n    normalize(array1Extract);\n    var diff = calculateDiff();\n    return calculateOverlapFromDiff(diff);\n  }\n\n\n  this.setPeaks1 = setPeaks1;\n  this.setPeaks2 = setPeaks2;\n  this.getExtract1 = getExtract1;\n  this.getExtract2 = getExtract2;\n  this.getExtractInfo1 = getExtractInfo1;\n  this.getExtractInfo2 = getExtractInfo2;\n  this.setFromTo = setFromTo;\n  this.setOptions = setOptions;\n  this.setTrapezoid = setTrapezoid;\n  this.getSimilarity = getSimilarity;\n  this.getCommonArray = getCommonArray;\n\n  this.fastSimilarity = fastSimilarity;\n};\n\n\n// returns an new array based on array1 where there is a peak of array2 at a distance under width/2\nfunction getCommonArray(array1, array2, width) {\n  var newArray = [[], []];\n  var pos2 = 0;\n  width /= 2;\n  var j = 0;\n  var array1Length = array1[0] ? array1[0].length : 0;\n  var array2Length = array2[0] ? array2[0].length : 0;\n\n  for (var i = 0; i < array1Length; i++) {\n    while (pos2 < array2Length && (array1[0][i] > (array2[0][pos2] + width))) {\n      pos2++;\n    }\n    if ((pos2 < array2Length) && (array1[0][i] > array2[0][pos2] - width)) {\n      newArray[0][j] = array1[0][i];\n      newArray[1][j] = array1[1][i];\n      j++;\n    }\n  }\n  return newArray;\n}\n\n\n// Adapted from: http://stackoverflow.com/questions/563198/how-do-you-detect-where-two-line-segments-intersect/1968345#1968345\nfunction getIntersection(segment1, segment2) {\n  var p0X = segment1[0][0];\n  var p0Y = segment1[0][1];\n  var p1X = segment1[1][0];\n  var p1Y = segment1[1][1];\n  var p2X = segment2[0][0];\n  var p2Y = segment2[0][1];\n  var p3X = segment2[1][0];\n  var p3Y = segment2[1][1];\n\n  var s1X, s1Y, s2X, s2Y;\n  s1X = p1X - p0X;\n  s1Y = p1Y - p0Y;\n  s2X = p3X - p2X;\n  s2Y = p3Y - p2Y;\n  var s, t;\n  s = (-s1Y * (p0X - p2X) + s1X * (p0Y - p2Y)) / (-s2X * s1Y + s1X * s2Y);\n  t = (s2X * (p0Y - p2Y) - s2Y * (p0X - p2X)) / (-s2X * s1Y + s1X * s2Y);\n  if (s >= 0 && s <= 1 && t >= 0 && t <= 1) {\n    return {\n      x: p0X + (t * s1X),\n      y: p0Y + (t * s1Y)\n    };\n  }\n  return null; // No collision\n}\n\nfunction normalize(array) {\n  var min = Stat.min(array[1]);\n  var max = Stat.max(array[1]);\n  var sum = Stat.sum(array[1]);\n  var length = array[1] ? array[1].length : 0;\n  if (sum !== 0) {\n    for (var i = 0; i < length; i++) {\n      array[1][i] /= sum;\n    }\n  }\n  return {\n    sum: sum,\n    min: min,\n    max: max\n  };\n}\n\n// this method will systematically take care of both array\nfunction commonExtractAndNormalize(array1, array2, width, from, to, common) {\n  if (!(Array.isArray(array1)) || !(Array.isArray(array2))) {\n    return {\n      info: undefined,\n      data: undefined\n    };\n  }\n  var extract1 = extract(array1, from, to);\n  var extract2 = extract(array2, from, to);\n  var common1, common2, info1, info2;\n  if (common & COMMON_SECOND) {\n    common1 = getCommonArray(extract1, extract2, width);\n    info1 = normalize(common1);\n  } else {\n    common1 = extract1;\n    info1 = normalize(common1);\n  }\n  if (common & COMMON_FIRST) {\n    common2 = getCommonArray(extract2, extract1, width);\n    info2 = normalize(common2);\n  } else {\n    common2 = extract2;\n    info2 = normalize(common2);\n  }\n\n  return {\n    info1: info1,\n    info2: info2,\n    data1: common1,\n    data2: common2\n  };\n}\n\nfunction extract(array, from, to) {\n  var newArray = [[], []];\n  var j = 0;\n  var length = array[0] ? array[0].length : 0;\n  for (var i = 0; i < length; i++) {\n    if ((!from || array[0][i] >= from) && (!to || array[0][i] <= to)) {\n      newArray[0][j] = array[0][i];\n      newArray[1][j] = array[1][i];\n      j++;\n    }\n  }\n  return newArray;\n}\n\nfunction extractAndNormalize(array, from, to) {\n  if (!(Array.isArray(array))) {\n    return {\n      info: undefined,\n      data: undefined\n    };\n  }\n  var newArray = extract(array, from, to);\n  var info = normalize(newArray);\n  return {\n    info: info,\n    data: newArray\n  };\n}\n\nfunction calculateOverlapFromDiff(diffs) {\n  if (diffs[1].length === 0) return 0;\n  var sumPos = 0;\n  for (var i = 0; i < diffs[1].length; i++) {\n    sumPos += Math.abs(diffs[1][i]);\n  }\n  return 1 - sumPos;\n}\n","'use strict';\n\nvar arrayStat = require('./array');\n\nfunction compareNumbers(a, b) {\n    return a - b;\n}\n\nexports.max = function max(matrix) {\n    var max = -Infinity;\n    for (var i = 0; i < matrix.length; i++) {\n        for (var j = 0; j < matrix[i].length; j++) {\n            if (matrix[i][j] > max) max = matrix[i][j];\n        }\n    }\n    return max;\n};\n\nexports.min = function min(matrix) {\n    var min = Infinity;\n    for (var i = 0; i < matrix.length; i++) {\n        for (var j = 0; j < matrix[i].length; j++) {\n            if (matrix[i][j] < min) min = matrix[i][j];\n        }\n    }\n    return min;\n};\n\nexports.minMax = function minMax(matrix) {\n    var min = Infinity;\n    var max = -Infinity;\n    for (var i = 0; i < matrix.length; i++) {\n        for (var j = 0; j < matrix[i].length; j++) {\n            if (matrix[i][j] < min) min = matrix[i][j];\n            if (matrix[i][j] > max) max = matrix[i][j];\n        }\n    }\n    return {\n        min:min,\n        max:max\n    };\n};\n\nexports.entropy = function entropy(matrix, eps) {\n    if (typeof (eps) === 'undefined') {\n        eps = 0;\n    }\n    var sum = 0,\n        l1 = matrix.length,\n        l2 = matrix[0].length;\n    for (var i = 0; i < l1; i++) {\n        for (var j = 0; j < l2; j++) {\n            sum += matrix[i][j] * Math.log(matrix[i][j] + eps);\n        }\n    }\n    return -sum;\n};\n\nexports.mean = function mean(matrix, dimension) {\n    if (typeof (dimension) === 'undefined') {\n        dimension = 0;\n    }\n    var rows = matrix.length,\n        cols = matrix[0].length,\n        theMean, N, i, j;\n\n    if (dimension === -1) {\n        theMean = [0];\n        N = rows * cols;\n        for (i = 0; i < rows; i++) {\n            for (j = 0; j < cols; j++) {\n                theMean[0] += matrix[i][j];\n            }\n        }\n        theMean[0] /= N;\n    } else if (dimension === 0) {\n        theMean = new Array(cols);\n        N = rows;\n        for (j = 0; j < cols; j++) {\n            theMean[j] = 0;\n            for (i = 0; i < rows; i++) {\n                theMean[j] += matrix[i][j];\n            }\n            theMean[j] /= N;\n        }\n    } else if (dimension === 1) {\n        theMean = new Array(rows);\n        N = cols;\n        for (j = 0; j < rows; j++) {\n            theMean[j] = 0;\n            for (i = 0; i < cols; i++) {\n                theMean[j] += matrix[j][i];\n            }\n            theMean[j] /= N;\n        }\n    } else {\n        throw new Error('Invalid dimension');\n    }\n    return theMean;\n};\n\nexports.sum = function sum(matrix, dimension) {\n    if (typeof (dimension) === 'undefined') {\n        dimension = 0;\n    }\n    var rows = matrix.length,\n        cols = matrix[0].length,\n        theSum, i, j;\n\n    if (dimension === -1) {\n        theSum = [0];\n        for (i = 0; i < rows; i++) {\n            for (j = 0; j < cols; j++) {\n                theSum[0] += matrix[i][j];\n            }\n        }\n    } else if (dimension === 0) {\n        theSum = new Array(cols);\n        for (j = 0; j < cols; j++) {\n            theSum[j] = 0;\n            for (i = 0; i < rows; i++) {\n                theSum[j] += matrix[i][j];\n            }\n        }\n    } else if (dimension === 1) {\n        theSum = new Array(rows);\n        for (j = 0; j < rows; j++) {\n            theSum[j] = 0;\n            for (i = 0; i < cols; i++) {\n                theSum[j] += matrix[j][i];\n            }\n        }\n    } else {\n        throw new Error('Invalid dimension');\n    }\n    return theSum;\n};\n\nexports.product = function product(matrix, dimension) {\n    if (typeof (dimension) === 'undefined') {\n        dimension = 0;\n    }\n    var rows = matrix.length,\n        cols = matrix[0].length,\n        theProduct, i, j;\n\n    if (dimension === -1) {\n        theProduct = [1];\n        for (i = 0; i < rows; i++) {\n            for (j = 0; j < cols; j++) {\n                theProduct[0] *= matrix[i][j];\n            }\n        }\n    } else if (dimension === 0) {\n        theProduct = new Array(cols);\n        for (j = 0; j < cols; j++) {\n            theProduct[j] = 1;\n            for (i = 0; i < rows; i++) {\n                theProduct[j] *= matrix[i][j];\n            }\n        }\n    } else if (dimension === 1) {\n        theProduct = new Array(rows);\n        for (j = 0; j < rows; j++) {\n            theProduct[j] = 1;\n            for (i = 0; i < cols; i++) {\n                theProduct[j] *= matrix[j][i];\n            }\n        }\n    } else {\n        throw new Error('Invalid dimension');\n    }\n    return theProduct;\n};\n\nexports.standardDeviation = function standardDeviation(matrix, means, unbiased) {\n    var vari = exports.variance(matrix, means, unbiased), l = vari.length;\n    for (var i = 0; i < l; i++) {\n        vari[i] = Math.sqrt(vari[i]);\n    }\n    return vari;\n};\n\nexports.variance = function variance(matrix, means, unbiased) {\n    if (typeof (unbiased) === 'undefined') {\n        unbiased = true;\n    }\n    means = means || exports.mean(matrix);\n    var rows = matrix.length;\n    if (rows === 0) return [];\n    var cols = matrix[0].length;\n    var vari = new Array(cols);\n\n    for (var j = 0; j < cols; j++) {\n        var sum1 = 0, sum2 = 0, x = 0;\n        for (var i = 0; i < rows; i++) {\n            x = matrix[i][j] - means[j];\n            sum1 += x;\n            sum2 += x * x;\n        }\n        if (unbiased) {\n            vari[j] = (sum2 - ((sum1 * sum1) / rows)) / (rows - 1);\n        } else {\n            vari[j] = (sum2 - ((sum1 * sum1) / rows)) / rows;\n        }\n    }\n    return vari;\n};\n\nexports.median = function median(matrix) {\n    var rows = matrix.length, cols = matrix[0].length;\n    var medians = new Array(cols);\n\n    for (var i = 0; i < cols; i++) {\n        var data = new Array(rows);\n        for (var j = 0; j < rows; j++) {\n            data[j] = matrix[j][i];\n        }\n        data.sort(compareNumbers);\n        var N = data.length;\n        if (N % 2 === 0) {\n            medians[i] = (data[N / 2] + data[(N / 2) - 1]) * 0.5;\n        } else {\n            medians[i] = data[Math.floor(N / 2)];\n        }\n    }\n    return medians;\n};\n\nexports.mode = function mode(matrix) {\n    var rows = matrix.length,\n        cols = matrix[0].length,\n        modes = new Array(cols),\n        i, j;\n    for (i = 0; i < cols; i++) {\n        var itemCount = new Array(rows);\n        for (var k = 0; k < rows; k++) {\n            itemCount[k] = 0;\n        }\n        var itemArray = new Array(rows);\n        var count = 0;\n\n        for (j = 0; j < rows; j++) {\n            var index = itemArray.indexOf(matrix[j][i]);\n            if (index >= 0) {\n                itemCount[index]++;\n            } else {\n                itemArray[count] = matrix[j][i];\n                itemCount[count] = 1;\n                count++;\n            }\n        }\n\n        var maxValue = 0, maxIndex = 0;\n        for (j = 0; j < count; j++) {\n            if (itemCount[j] > maxValue) {\n                maxValue = itemCount[j];\n                maxIndex = j;\n            }\n        }\n\n        modes[i] = itemArray[maxIndex];\n    }\n    return modes;\n};\n\nexports.skewness = function skewness(matrix, unbiased) {\n    if (typeof (unbiased) === 'undefined') unbiased = true;\n    var means = exports.mean(matrix);\n    var n = matrix.length, l = means.length;\n    var skew = new Array(l);\n\n    for (var j = 0; j < l; j++) {\n        var s2 = 0, s3 = 0;\n        for (var i = 0; i < n; i++) {\n            var dev = matrix[i][j] - means[j];\n            s2 += dev * dev;\n            s3 += dev * dev * dev;\n        }\n\n        var m2 = s2 / n;\n        var m3 = s3 / n;\n        var g = m3 / Math.pow(m2, 3 / 2);\n\n        if (unbiased) {\n            var a = Math.sqrt(n * (n - 1));\n            var b = n - 2;\n            skew[j] = (a / b) * g;\n        } else {\n            skew[j] = g;\n        }\n    }\n    return skew;\n};\n\nexports.kurtosis = function kurtosis(matrix, unbiased) {\n    if (typeof (unbiased) === 'undefined') unbiased = true;\n    var means = exports.mean(matrix);\n    var n = matrix.length, m = matrix[0].length;\n    var kurt = new Array(m);\n\n    for (var j = 0; j < m; j++) {\n        var s2 = 0, s4 = 0;\n        for (var i = 0; i < n; i++) {\n            var dev = matrix[i][j] - means[j];\n            s2 += dev * dev;\n            s4 += dev * dev * dev * dev;\n        }\n        var m2 = s2 / n;\n        var m4 = s4 / n;\n\n        if (unbiased) {\n            var v = s2 / (n - 1);\n            var a = (n * (n + 1)) / ((n - 1) * (n - 2) * (n - 3));\n            var b = s4 / (v * v);\n            var c = ((n - 1) * (n - 1)) / ((n - 2) * (n - 3));\n            kurt[j] = a * b - 3 * c;\n        } else {\n            kurt[j] = m4 / (m2 * m2) - 3;\n        }\n    }\n    return kurt;\n};\n\nexports.standardError = function standardError(matrix) {\n    var samples = matrix.length;\n    var standardDeviations = exports.standardDeviation(matrix);\n    var l = standardDeviations.length;\n    var standardErrors = new Array(l);\n    var sqrtN = Math.sqrt(samples);\n\n    for (var i = 0; i < l; i++) {\n        standardErrors[i] = standardDeviations[i] / sqrtN;\n    }\n    return standardErrors;\n};\n\nexports.covariance = function covariance(matrix, dimension) {\n    return exports.scatter(matrix, undefined, dimension);\n};\n\nexports.scatter = function scatter(matrix, divisor, dimension) {\n    if (typeof (dimension) === 'undefined') {\n        dimension = 0;\n    }\n    if (typeof (divisor) === 'undefined') {\n        if (dimension === 0) {\n            divisor = matrix.length - 1;\n        } else if (dimension === 1) {\n            divisor = matrix[0].length - 1;\n        }\n    }\n    var means = exports.mean(matrix, dimension);\n    var rows = matrix.length;\n    if (rows === 0) {\n        return [[]];\n    }\n    var cols = matrix[0].length,\n        cov, i, j, s, k;\n\n    if (dimension === 0) {\n        cov = new Array(cols);\n        for (i = 0; i < cols; i++) {\n            cov[i] = new Array(cols);\n        }\n        for (i = 0; i < cols; i++) {\n            for (j = i; j < cols; j++) {\n                s = 0;\n                for (k = 0; k < rows; k++) {\n                    s += (matrix[k][j] - means[j]) * (matrix[k][i] - means[i]);\n                }\n                s /= divisor;\n                cov[i][j] = s;\n                cov[j][i] = s;\n            }\n        }\n    } else if (dimension === 1) {\n        cov = new Array(rows);\n        for (i = 0; i < rows; i++) {\n            cov[i] = new Array(rows);\n        }\n        for (i = 0; i < rows; i++) {\n            for (j = i; j < rows; j++) {\n                s = 0;\n                for (k = 0; k < cols; k++) {\n                    s += (matrix[j][k] - means[j]) * (matrix[i][k] - means[i]);\n                }\n                s /= divisor;\n                cov[i][j] = s;\n                cov[j][i] = s;\n            }\n        }\n    } else {\n        throw new Error('Invalid dimension');\n    }\n\n    return cov;\n};\n\nexports.correlation = function correlation(matrix) {\n    var means = exports.mean(matrix),\n        standardDeviations = exports.standardDeviation(matrix, true, means),\n        scores = exports.zScores(matrix, means, standardDeviations),\n        rows = matrix.length,\n        cols = matrix[0].length,\n        i, j;\n\n    var cor = new Array(cols);\n    for (i = 0; i < cols; i++) {\n        cor[i] = new Array(cols);\n    }\n    for (i = 0; i < cols; i++) {\n        for (j = i; j < cols; j++) {\n            var c = 0;\n            for (var k = 0, l = scores.length; k < l; k++) {\n                c += scores[k][j] * scores[k][i];\n            }\n            c /= rows - 1;\n            cor[i][j] = c;\n            cor[j][i] = c;\n        }\n    }\n    return cor;\n};\n\nexports.zScores = function zScores(matrix, means, standardDeviations) {\n    means = means || exports.mean(matrix);\n    if (typeof (standardDeviations) === 'undefined') standardDeviations = exports.standardDeviation(matrix, true, means);\n    return exports.standardize(exports.center(matrix, means, false), standardDeviations, true);\n};\n\nexports.center = function center(matrix, means, inPlace) {\n    means = means || exports.mean(matrix);\n    var result = matrix,\n        l = matrix.length,\n        i, j, jj;\n\n    if (!inPlace) {\n        result = new Array(l);\n        for (i = 0; i < l; i++) {\n            result[i] = new Array(matrix[i].length);\n        }\n    }\n\n    for (i = 0; i < l; i++) {\n        var row = result[i];\n        for (j = 0, jj = row.length; j < jj; j++) {\n            row[j] = matrix[i][j] - means[j];\n        }\n    }\n    return result;\n};\n\nexports.standardize = function standardize(matrix, standardDeviations, inPlace) {\n    if (typeof (standardDeviations) === 'undefined') standardDeviations = exports.standardDeviation(matrix);\n    var result = matrix,\n        l = matrix.length,\n        i, j, jj;\n\n    if (!inPlace) {\n        result = new Array(l);\n        for (i = 0; i < l; i++) {\n            result[i] = new Array(matrix[i].length);\n        }\n    }\n\n    for (i = 0; i < l; i++) {\n        var resultRow = result[i];\n        var sourceRow = matrix[i];\n        for (j = 0, jj = resultRow.length; j < jj; j++) {\n            if (standardDeviations[j] !== 0 && !isNaN(standardDeviations[j])) {\n                resultRow[j] = sourceRow[j] / standardDeviations[j];\n            }\n        }\n    }\n    return result;\n};\n\nexports.weightedVariance = function weightedVariance(matrix, weights) {\n    var means = exports.mean(matrix);\n    var rows = matrix.length;\n    if (rows === 0) return [];\n    var cols = matrix[0].length;\n    var vari = new Array(cols);\n\n    for (var j = 0; j < cols; j++) {\n        var sum = 0;\n        var a = 0, b = 0;\n\n        for (var i = 0; i < rows; i++) {\n            var z = matrix[i][j] - means[j];\n            var w = weights[i];\n\n            sum += w * (z * z);\n            b += w;\n            a += w * w;\n        }\n\n        vari[j] = sum * (b / (b * b - a));\n    }\n\n    return vari;\n};\n\nexports.weightedMean = function weightedMean(matrix, weights, dimension) {\n    if (typeof (dimension) === 'undefined') {\n        dimension = 0;\n    }\n    var rows = matrix.length;\n    if (rows === 0) return [];\n    var cols = matrix[0].length,\n        means, i, ii, j, w, row;\n\n    if (dimension === 0) {\n        means = new Array(cols);\n        for (i = 0; i < cols; i++) {\n            means[i] = 0;\n        }\n        for (i = 0; i < rows; i++) {\n            row = matrix[i];\n            w = weights[i];\n            for (j = 0; j < cols; j++) {\n                means[j] += row[j] * w;\n            }\n        }\n    } else if (dimension === 1) {\n        means = new Array(rows);\n        for (i = 0; i < rows; i++) {\n            means[i] = 0;\n        }\n        for (j = 0; j < rows; j++) {\n            row = matrix[j];\n            w = weights[j];\n            for (i = 0; i < cols; i++) {\n                means[j] += row[i] * w;\n            }\n        }\n    } else {\n        throw new Error('Invalid dimension');\n    }\n\n    var weightSum = arrayStat.sum(weights);\n    if (weightSum !== 0) {\n        for (i = 0, ii = means.length; i < ii; i++) {\n            means[i] /= weightSum;\n        }\n    }\n    return means;\n};\n\nexports.weightedCovariance = function weightedCovariance(matrix, weights, means, dimension) {\n    dimension = dimension || 0;\n    means = means || exports.weightedMean(matrix, weights, dimension);\n    var s1 = 0, s2 = 0;\n    for (var i = 0, ii = weights.length; i < ii; i++) {\n        s1 += weights[i];\n        s2 += weights[i] * weights[i];\n    }\n    var factor = s1 / (s1 * s1 - s2);\n    return exports.weightedScatter(matrix, weights, means, factor, dimension);\n};\n\nexports.weightedScatter = function weightedScatter(matrix, weights, means, factor, dimension) {\n    dimension = dimension || 0;\n    means = means || exports.weightedMean(matrix, weights, dimension);\n    if (typeof (factor) === 'undefined') {\n        factor = 1;\n    }\n    var rows = matrix.length;\n    if (rows === 0) {\n        return [[]];\n    }\n    var cols = matrix[0].length,\n        cov, i, j, k, s;\n\n    if (dimension === 0) {\n        cov = new Array(cols);\n        for (i = 0; i < cols; i++) {\n            cov[i] = new Array(cols);\n        }\n        for (i = 0; i < cols; i++) {\n            for (j = i; j < cols; j++) {\n                s = 0;\n                for (k = 0; k < rows; k++) {\n                    s += weights[k] * (matrix[k][j] - means[j]) * (matrix[k][i] - means[i]);\n                }\n                cov[i][j] = s * factor;\n                cov[j][i] = s * factor;\n            }\n        }\n    } else if (dimension === 1) {\n        cov = new Array(rows);\n        for (i = 0; i < rows; i++) {\n            cov[i] = new Array(rows);\n        }\n        for (i = 0; i < rows; i++) {\n            for (j = i; j < rows; j++) {\n                s = 0;\n                for (k = 0; k < cols; k++) {\n                    s += weights[k] * (matrix[j][k] - means[j]) * (matrix[i][k] - means[i]);\n                }\n                cov[i][j] = s * factor;\n                cov[j][i] = s * factor;\n            }\n        }\n    } else {\n        throw new Error('Invalid dimension');\n    }\n\n    return cov;\n};\n","var request = require('superagent-promise')(require('superagent'), Promise);\n\n\nfunction getPubchemStats(id) {\n    return request.get('https://pubchem.cheminfo.org/mfStats/search?id='+id).then(function (results) {\n        return results.body.result;\n    });\n}\n\nmodule.exports = getPubchemStats;\n\n\n\n","\r\n/**\r\n * Expose `Emitter`.\r\n */\r\n\r\nif (typeof module !== 'undefined') {\r\n  module.exports = Emitter;\r\n}\r\n\r\n/**\r\n * Initialize a new `Emitter`.\r\n *\r\n * @api public\r\n */\r\n\r\nfunction Emitter(obj) {\r\n  if (obj) return mixin(obj);\r\n};\r\n\r\n/**\r\n * Mixin the emitter properties.\r\n *\r\n * @param {Object} obj\r\n * @return {Object}\r\n * @api private\r\n */\r\n\r\nfunction mixin(obj) {\r\n  for (var key in Emitter.prototype) {\r\n    obj[key] = Emitter.prototype[key];\r\n  }\r\n  return obj;\r\n}\r\n\r\n/**\r\n * Listen on the given `event` with `fn`.\r\n *\r\n * @param {String} event\r\n * @param {Function} fn\r\n * @return {Emitter}\r\n * @api public\r\n */\r\n\r\nEmitter.prototype.on =\r\nEmitter.prototype.addEventListener = function(event, fn){\r\n  this._callbacks = this._callbacks || {};\r\n  (this._callbacks['$' + event] = this._callbacks['$' + event] || [])\r\n    .push(fn);\r\n  return this;\r\n};\r\n\r\n/**\r\n * Adds an `event` listener that will be invoked a single\r\n * time then automatically removed.\r\n *\r\n * @param {String} event\r\n * @param {Function} fn\r\n * @return {Emitter}\r\n * @api public\r\n */\r\n\r\nEmitter.prototype.once = function(event, fn){\r\n  function on() {\r\n    this.off(event, on);\r\n    fn.apply(this, arguments);\r\n  }\r\n\r\n  on.fn = fn;\r\n  this.on(event, on);\r\n  return this;\r\n};\r\n\r\n/**\r\n * Remove the given callback for `event` or all\r\n * registered callbacks.\r\n *\r\n * @param {String} event\r\n * @param {Function} fn\r\n * @return {Emitter}\r\n * @api public\r\n */\r\n\r\nEmitter.prototype.off =\r\nEmitter.prototype.removeListener =\r\nEmitter.prototype.removeAllListeners =\r\nEmitter.prototype.removeEventListener = function(event, fn){\r\n  this._callbacks = this._callbacks || {};\r\n\r\n  // all\r\n  if (0 == arguments.length) {\r\n    this._callbacks = {};\r\n    return this;\r\n  }\r\n\r\n  // specific event\r\n  var callbacks = this._callbacks['$' + event];\r\n  if (!callbacks) return this;\r\n\r\n  // remove all handlers\r\n  if (1 == arguments.length) {\r\n    delete this._callbacks['$' + event];\r\n    return this;\r\n  }\r\n\r\n  // remove specific handler\r\n  var cb;\r\n  for (var i = 0; i < callbacks.length; i++) {\r\n    cb = callbacks[i];\r\n    if (cb === fn || cb.fn === fn) {\r\n      callbacks.splice(i, 1);\r\n      break;\r\n    }\r\n  }\r\n  return this;\r\n};\r\n\r\n/**\r\n * Emit `event` with the given args.\r\n *\r\n * @param {String} event\r\n * @param {Mixed} ...\r\n * @return {Emitter}\r\n */\r\n\r\nEmitter.prototype.emit = function(event){\r\n  this._callbacks = this._callbacks || {};\r\n  var args = [].slice.call(arguments, 1)\r\n    , callbacks = this._callbacks['$' + event];\r\n\r\n  if (callbacks) {\r\n    callbacks = callbacks.slice(0);\r\n    for (var i = 0, len = callbacks.length; i < len; ++i) {\r\n      callbacks[i].apply(this, args);\r\n    }\r\n  }\r\n\r\n  return this;\r\n};\r\n\r\n/**\r\n * Return array of callbacks for `event`.\r\n *\r\n * @param {String} event\r\n * @return {Array}\r\n * @api public\r\n */\r\n\r\nEmitter.prototype.listeners = function(event){\r\n  this._callbacks = this._callbacks || {};\r\n  return this._callbacks['$' + event] || [];\r\n};\r\n\r\n/**\r\n * Check if this emitter has `event` handlers.\r\n *\r\n * @param {String} event\r\n * @return {Boolean}\r\n * @api public\r\n */\r\n\r\nEmitter.prototype.hasListeners = function(event){\r\n  return !! this.listeners(event).length;\r\n};\r\n","'use strict';\n\n/**\n * Module of mixed-in functions shared between node and client code\n */\nconst isObject = require('./is-object');\n\n/**\n * Expose `RequestBase`.\n */\n\nmodule.exports = RequestBase;\n\n/**\n * Initialize a new `RequestBase`.\n *\n * @api public\n */\n\nfunction RequestBase(obj) {\n  if (obj) return mixin(obj);\n}\n\n/**\n * Mixin the prototype properties.\n *\n * @param {Object} obj\n * @return {Object}\n * @api private\n */\n\nfunction mixin(obj) {\n  for (const key in RequestBase.prototype) {\n    obj[key] = RequestBase.prototype[key];\n  }\n  return obj;\n}\n\n/**\n * Clear previous timeout.\n *\n * @return {Request} for chaining\n * @api public\n */\n\nRequestBase.prototype.clearTimeout = function _clearTimeout(){\n  clearTimeout(this._timer);\n  clearTimeout(this._responseTimeoutTimer);\n  delete this._timer;\n  delete this._responseTimeoutTimer;\n  return this;\n};\n\n/**\n * Override default response body parser\n *\n * This function will be called to convert incoming data into request.body\n *\n * @param {Function}\n * @api public\n */\n\nRequestBase.prototype.parse = function parse(fn){\n  this._parser = fn;\n  return this;\n};\n\n/**\n * Set format of binary response body.\n * In browser valid formats are 'blob' and 'arraybuffer',\n * which return Blob and ArrayBuffer, respectively.\n *\n * In Node all values result in Buffer.\n *\n * Examples:\n *\n *      req.get('/')\n *        .responseType('blob')\n *        .end(callback);\n *\n * @param {String} val\n * @return {Request} for chaining\n * @api public\n */\n\nRequestBase.prototype.responseType = function(val){\n  this._responseType = val;\n  return this;\n};\n\n/**\n * Override default request body serializer\n *\n * This function will be called to convert data set via .send or .attach into payload to send\n *\n * @param {Function}\n * @api public\n */\n\nRequestBase.prototype.serialize = function serialize(fn){\n  this._serializer = fn;\n  return this;\n};\n\n/**\n * Set timeouts.\n *\n * - response timeout is time between sending request and receiving the first byte of the response. Includes DNS and connection time.\n * - deadline is the time from start of the request to receiving response body in full. If the deadline is too short large files may not load at all on slow connections.\n *\n * Value of 0 or false means no timeout.\n *\n * @param {Number|Object} ms or {response, deadline}\n * @return {Request} for chaining\n * @api public\n */\n\nRequestBase.prototype.timeout = function timeout(options){\n  if (!options || 'object' !== typeof options) {\n    this._timeout = options;\n    this._responseTimeout = 0;\n    return this;\n  }\n\n  for(const option in options) {\n    switch(option) {\n      case 'deadline':\n        this._timeout = options.deadline;\n        break;\n      case 'response':\n        this._responseTimeout = options.response;\n        break;\n      default:\n        console.warn(\"Unknown timeout option\", option);\n    }\n  }\n  return this;\n};\n\n/**\n * Set number of retry attempts on error.\n *\n * Failed requests will be retried 'count' times if timeout or err.code >= 500.\n *\n * @param {Number} count\n * @param {Function} [fn]\n * @return {Request} for chaining\n * @api public\n */\n\nRequestBase.prototype.retry = function retry(count, fn){\n  // Default to 1 if no count passed or true\n  if (arguments.length === 0 || count === true) count = 1;\n  if (count <= 0) count = 0;\n  this._maxRetries = count;\n  this._retries = 0;\n  this._retryCallback = fn;\n  return this;\n};\n\nconst ERROR_CODES = [\n  'ECONNRESET',\n  'ETIMEDOUT',\n  'EADDRINFO',\n  'ESOCKETTIMEDOUT'\n];\n\n/**\n * Determine if a request should be retried.\n * (Borrowed from segmentio/superagent-retry)\n *\n * @param {Error} err\n * @param {Response} [res]\n * @returns {Boolean}\n */\nRequestBase.prototype._shouldRetry = function(err, res) {\n  if (!this._maxRetries || this._retries++ >= this._maxRetries) {\n    return false;\n  }\n  if (this._retryCallback) {\n    try {\n      const override = this._retryCallback(err, res);\n      if (override === true) return true;\n      if (override === false) return false;\n      // undefined falls back to defaults\n    } catch(e) {\n      console.error(e);\n    }\n  }\n  if (res && res.status && res.status >= 500 && res.status != 501) return true;\n  if (err) {\n    if (err.code && ~ERROR_CODES.indexOf(err.code)) return true;\n    // Superagent timeout\n    if (err.timeout && err.code == 'ECONNABORTED') return true;\n    if (err.crossDomain) return true;\n  }\n  return false;\n};\n\n/**\n * Retry request\n *\n * @return {Request} for chaining\n * @api private\n */\n\nRequestBase.prototype._retry = function() {\n\n  this.clearTimeout();\n\n  // node\n  if (this.req) {\n    this.req = null;\n    this.req = this.request();\n  }\n\n  this._aborted = false;\n  this.timedout = false;\n\n  return this._end();\n};\n\n/**\n * Promise support\n *\n * @param {Function} resolve\n * @param {Function} [reject]\n * @return {Request}\n */\n\nRequestBase.prototype.then = function then(resolve, reject) {\n  if (!this._fullfilledPromise) {\n    const self = this;\n    if (this._endCalled) {\n      console.warn(\"Warning: superagent request was sent twice, because both .end() and .then() were called. Never call .end() if you use promises\");\n    }\n    this._fullfilledPromise = new Promise((innerResolve, innerReject) => {\n      self.on('error', innerReject);\n      self.on('abort', () => {\n        const err = new Error('Aborted');\n        err.code = \"ABORTED\";\n        err.status = this.status;\n        err.method = this.method;\n        err.url = this.url;\n        innerReject(err);\n      });\n      self.end((err, res) => {\n        if (err) innerReject(err);\n        else innerResolve(res);\n      });\n    });\n  }\n  return this._fullfilledPromise.then(resolve, reject);\n};\n\nRequestBase.prototype['catch'] = function(cb) {\n  return this.then(undefined, cb);\n};\n\n/**\n * Allow for extension\n */\n\nRequestBase.prototype.use = function use(fn) {\n  fn(this);\n  return this;\n};\n\nRequestBase.prototype.ok = function(cb) {\n  if ('function' !== typeof cb) throw Error(\"Callback required\");\n  this._okCallback = cb;\n  return this;\n};\n\nRequestBase.prototype._isResponseOK = function(res) {\n  if (!res) {\n    return false;\n  }\n\n  if (this._okCallback) {\n    return this._okCallback(res);\n  }\n\n  return res.status >= 200 && res.status < 300;\n};\n\n/**\n * Get request header `field`.\n * Case-insensitive.\n *\n * @param {String} field\n * @return {String}\n * @api public\n */\n\nRequestBase.prototype.get = function(field){\n  return this._header[field.toLowerCase()];\n};\n\n/**\n * Get case-insensitive header `field` value.\n * This is a deprecated internal API. Use `.get(field)` instead.\n *\n * (getHeader is no longer used internally by the superagent code base)\n *\n * @param {String} field\n * @return {String}\n * @api private\n * @deprecated\n */\n\nRequestBase.prototype.getHeader = RequestBase.prototype.get;\n\n/**\n * Set header `field` to `val`, or multiple fields with one object.\n * Case-insensitive.\n *\n * Examples:\n *\n *      req.get('/')\n *        .set('Accept', 'application/json')\n *        .set('X-API-Key', 'foobar')\n *        .end(callback);\n *\n *      req.get('/')\n *        .set({ Accept: 'application/json', 'X-API-Key': 'foobar' })\n *        .end(callback);\n *\n * @param {String|Object} field\n * @param {String} val\n * @return {Request} for chaining\n * @api public\n */\n\nRequestBase.prototype.set = function(field, val){\n  if (isObject(field)) {\n    for (const key in field) {\n      this.set(key, field[key]);\n    }\n    return this;\n  }\n  this._header[field.toLowerCase()] = val;\n  this.header[field] = val;\n  return this;\n};\n\n/**\n * Remove header `field`.\n * Case-insensitive.\n *\n * Example:\n *\n *      req.get('/')\n *        .unset('User-Agent')\n *        .end(callback);\n *\n * @param {String} field\n */\nRequestBase.prototype.unset = function(field){\n  delete this._header[field.toLowerCase()];\n  delete this.header[field];\n  return this;\n};\n\n/**\n * Write the field `name` and `val`, or multiple fields with one object\n * for \"multipart/form-data\" request bodies.\n *\n * ``` js\n * request.post('/upload')\n *   .field('foo', 'bar')\n *   .end(callback);\n *\n * request.post('/upload')\n *   .field({ foo: 'bar', baz: 'qux' })\n *   .end(callback);\n * ```\n *\n * @param {String|Object} name\n * @param {String|Blob|File|Buffer|fs.ReadStream} val\n * @return {Request} for chaining\n * @api public\n */\nRequestBase.prototype.field = function(name, val) {\n  // name should be either a string or an object.\n  if (null === name || undefined === name) {\n    throw new Error('.field(name, val) name can not be empty');\n  }\n\n  if (this._data) {\n    throw new Error(\".field() can't be used if .send() is used. Please use only .send() or only .field() & .attach()\");\n  }\n\n  if (isObject(name)) {\n    for (const key in name) {\n      this.field(key, name[key]);\n    }\n    return this;\n  }\n\n  if (Array.isArray(val)) {\n    for (const i in val) {\n      this.field(name, val[i]);\n    }\n    return this;\n  }\n\n  // val should be defined now\n  if (null === val || undefined === val) {\n    throw new Error('.field(name, val) val can not be empty');\n  }\n  if ('boolean' === typeof val) {\n    val = '' + val;\n  }\n  this._getFormData().append(name, val);\n  return this;\n};\n\n/**\n * Abort the request, and clear potential timeout.\n *\n * @return {Request}\n * @api public\n */\nRequestBase.prototype.abort = function(){\n  if (this._aborted) {\n    return this;\n  }\n  this._aborted = true;\n  this.xhr && this.xhr.abort(); // browser\n  this.req && this.req.abort(); // node\n  this.clearTimeout();\n  this.emit('abort');\n  return this;\n};\n\nRequestBase.prototype._auth = function(user, pass, options, base64Encoder) {\n  switch (options.type) {\n    case 'basic':\n      this.set('Authorization', `Basic ${base64Encoder(`${user}:${pass}`)}`);\n      break;\n\n    case 'auto':\n      this.username = user;\n      this.password = pass;\n      break;\n\n    case 'bearer': // usage would be .auth(accessToken, { type: 'bearer' })\n      this.set('Authorization', `Bearer ${user}`);\n      break;\n  }\n  return this;\n};\n\n/**\n * Enable transmission of cookies with x-domain requests.\n *\n * Note that for this to work the origin must not be\n * using \"Access-Control-Allow-Origin\" with a wildcard,\n * and also must set \"Access-Control-Allow-Credentials\"\n * to \"true\".\n *\n * @api public\n */\n\nRequestBase.prototype.withCredentials = function(on) {\n  // This is browser-only functionality. Node side is no-op.\n  if (on == undefined) on = true;\n  this._withCredentials = on;\n  return this;\n};\n\n/**\n * Set the max redirects to `n`. Does noting in browser XHR implementation.\n *\n * @param {Number} n\n * @return {Request} for chaining\n * @api public\n */\n\nRequestBase.prototype.redirects = function(n){\n  this._maxRedirects = n;\n  return this;\n};\n\n/**\n * Maximum size of buffered response body, in bytes. Counts uncompressed size.\n * Default 200MB.\n *\n * @param {Number} n\n * @return {Request} for chaining\n */\nRequestBase.prototype.maxResponseSize = function(n){\n  if ('number' !== typeof n) {\n    throw TypeError(\"Invalid argument\");\n  }\n  this._maxResponseSize = n;\n  return this;\n};\n\n/**\n * Convert to a plain javascript object (not JSON string) of scalar properties.\n * Note as this method is designed to return a useful non-this value,\n * it cannot be chained.\n *\n * @return {Object} describing method, url, and data of this request\n * @api public\n */\n\nRequestBase.prototype.toJSON = function() {\n  return {\n    method: this.method,\n    url: this.url,\n    data: this._data,\n    headers: this._header,\n  };\n};\n\n/**\n * Send `data` as the request body, defaulting the `.type()` to \"json\" when\n * an object is given.\n *\n * Examples:\n *\n *       // manual json\n *       request.post('/user')\n *         .type('json')\n *         .send('{\"name\":\"tj\"}')\n *         .end(callback)\n *\n *       // auto json\n *       request.post('/user')\n *         .send({ name: 'tj' })\n *         .end(callback)\n *\n *       // manual x-www-form-urlencoded\n *       request.post('/user')\n *         .type('form')\n *         .send('name=tj')\n *         .end(callback)\n *\n *       // auto x-www-form-urlencoded\n *       request.post('/user')\n *         .type('form')\n *         .send({ name: 'tj' })\n *         .end(callback)\n *\n *       // defaults to x-www-form-urlencoded\n *      request.post('/user')\n *        .send('name=tobi')\n *        .send('species=ferret')\n *        .end(callback)\n *\n * @param {String|Object} data\n * @return {Request} for chaining\n * @api public\n */\n\nRequestBase.prototype.send = function(data){\n  const isObj = isObject(data);\n  let type = this._header['content-type'];\n\n  if (this._formData) {\n    throw new Error(\".send() can't be used if .attach() or .field() is used. Please use only .send() or only .field() & .attach()\");\n  }\n\n  if (isObj && !this._data) {\n    if (Array.isArray(data)) {\n      this._data = [];\n    } else if (!this._isHost(data)) {\n      this._data = {};\n    }\n  } else if (data && this._data && this._isHost(this._data)) {\n    throw Error(\"Can't merge these send calls\");\n  }\n\n  // merge\n  if (isObj && isObject(this._data)) {\n    for (const key in data) {\n      this._data[key] = data[key];\n    }\n  } else if ('string' == typeof data) {\n    // default to x-www-form-urlencoded\n    if (!type) this.type('form');\n    type = this._header['content-type'];\n    if ('application/x-www-form-urlencoded' == type) {\n      this._data = this._data\n        ? `${this._data}&${data}`\n        : data;\n    } else {\n      this._data = (this._data || '') + data;\n    }\n  } else {\n    this._data = data;\n  }\n\n  if (!isObj || this._isHost(data)) {\n    return this;\n  }\n\n  // default to json\n  if (!type) this.type('json');\n  return this;\n};\n\n/**\n * Sort `querystring` by the sort function\n *\n *\n * Examples:\n *\n *       // default order\n *       request.get('/user')\n *         .query('name=Nick')\n *         .query('search=Manny')\n *         .sortQuery()\n *         .end(callback)\n *\n *       // customized sort function\n *       request.get('/user')\n *         .query('name=Nick')\n *         .query('search=Manny')\n *         .sortQuery(function(a, b){\n *           return a.length - b.length;\n *         })\n *         .end(callback)\n *\n *\n * @param {Function} sort\n * @return {Request} for chaining\n * @api public\n */\n\nRequestBase.prototype.sortQuery = function(sort) {\n  // _sort default to true but otherwise can be a function or boolean\n  this._sort = typeof sort === 'undefined' ? true : sort;\n  return this;\n};\n\n/**\n * Compose querystring to append to req.url\n *\n * @api private\n */\nRequestBase.prototype._finalizeQueryString = function(){\n  const query = this._query.join('&');\n  if (query) {\n    this.url += (this.url.indexOf('?') >= 0 ? '&' : '?') + query;\n  }\n  this._query.length = 0; // Makes the call idempotent\n\n  if (this._sort) {\n    const index = this.url.indexOf('?');\n    if (index >= 0) {\n      const queryArr = this.url.substring(index + 1).split('&');\n      if ('function' === typeof this._sort) {\n        queryArr.sort(this._sort);\n      } else {\n        queryArr.sort();\n      }\n      this.url = this.url.substring(0, index) + '?' + queryArr.join('&');\n    }\n  }\n};\n\n// For backwards compat only\nRequestBase.prototype._appendQueryString = () => {console.trace(\"Unsupported\");}\n\n/**\n * Invoke callback with timeout error.\n *\n * @api private\n */\n\nRequestBase.prototype._timeoutError = function(reason, timeout, errno){\n  if (this._aborted) {\n    return;\n  }\n  const err = new Error(`${reason + timeout}ms exceeded`);\n  err.timeout = timeout;\n  err.code = 'ECONNABORTED';\n  err.errno = errno;\n  this.timedout = true;\n  this.abort();\n  this.callback(err);\n};\n\nRequestBase.prototype._setTimeouts = function() {\n  const self = this;\n\n  // deadline\n  if (this._timeout && !this._timer) {\n    this._timer = setTimeout(() => {\n      self._timeoutError('Timeout of ', self._timeout, 'ETIME');\n    }, this._timeout);\n  }\n  // response timeout\n  if (this._responseTimeout && !this._responseTimeoutTimer) {\n    this._responseTimeoutTimer = setTimeout(() => {\n      self._timeoutError('Response timeout of ', self._responseTimeout, 'ETIMEDOUT');\n    }, this._responseTimeout);\n  }\n};\n","'use strict';\n\n/**\n * Module dependencies.\n */\n\nconst utils = require('./utils');\n\n/**\n * Expose `ResponseBase`.\n */\n\nmodule.exports = ResponseBase;\n\n/**\n * Initialize a new `ResponseBase`.\n *\n * @api public\n */\n\nfunction ResponseBase(obj) {\n  if (obj) return mixin(obj);\n}\n\n/**\n * Mixin the prototype properties.\n *\n * @param {Object} obj\n * @return {Object}\n * @api private\n */\n\nfunction mixin(obj) {\n  for (const key in ResponseBase.prototype) {\n    obj[key] = ResponseBase.prototype[key];\n  }\n  return obj;\n}\n\n/**\n * Get case-insensitive `field` value.\n *\n * @param {String} field\n * @return {String}\n * @api public\n */\n\nResponseBase.prototype.get = function(field) {\n  return this.header[field.toLowerCase()];\n};\n\n/**\n * Set header related properties:\n *\n *   - `.type` the content type without params\n *\n * A response of \"Content-Type: text/plain; charset=utf-8\"\n * will provide you with a `.type` of \"text/plain\".\n *\n * @param {Object} header\n * @api private\n */\n\nResponseBase.prototype._setHeaderProperties = function(header){\n    // TODO: moar!\n    // TODO: make this a util\n\n    // content-type\n    const ct = header['content-type'] || '';\n    this.type = utils.type(ct);\n\n    // params\n    const params = utils.params(ct);\n    for (const key in params) this[key] = params[key];\n\n    this.links = {};\n\n    // links\n    try {\n        if (header.link) {\n            this.links = utils.parseLinks(header.link);\n        }\n    } catch (err) {\n        // ignore\n    }\n};\n\n/**\n * Set flags such as `.ok` based on `status`.\n *\n * For example a 2xx response will give you a `.ok` of __true__\n * whereas 5xx will be __false__ and `.error` will be __true__. The\n * `.clientError` and `.serverError` are also available to be more\n * specific, and `.statusType` is the class of error ranging from 1..5\n * sometimes useful for mapping respond colors etc.\n *\n * \"sugar\" properties are also defined for common cases. Currently providing:\n *\n *   - .noContent\n *   - .badRequest\n *   - .unauthorized\n *   - .notAcceptable\n *   - .notFound\n *\n * @param {Number} status\n * @api private\n */\n\nResponseBase.prototype._setStatusProperties = function(status){\n    const type = status / 100 | 0;\n\n    // status / class\n    this.status = this.statusCode = status;\n    this.statusType = type;\n\n    // basics\n    this.info = 1 == type;\n    this.ok = 2 == type;\n    this.redirect = 3 == type;\n    this.clientError = 4 == type;\n    this.serverError = 5 == type;\n    this.error = (4 == type || 5 == type)\n        ? this.toError()\n        : false;\n\n    // sugar\n    this.created = 201 == status;\n    this.accepted = 202 == status;\n    this.noContent = 204 == status;\n    this.badRequest = 400 == status;\n    this.unauthorized = 401 == status;\n    this.notAcceptable = 406 == status;\n    this.forbidden = 403 == status;\n    this.notFound = 404 == status;\n    this.unprocessableEntity = 422 == status;\n};\n","'use strict';\n\n/**\n * Return the mime type for the given `str`.\n *\n * @param {String} str\n * @return {String}\n * @api private\n */\n\nexports.type = str => str.split(/ *; 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i<results.length; i++) {\n        var result=results[i];\n        result.rank = i+1;\n        result.absppm=Math.abs(result.ppm);\n        result.pubchem = {};\n        addAtoms(result);\n        addRatios(result, stats);\n        addRatiosScore(result, stats);\n    }\n    return mfResults;\n}\n\n\n\nfunction addAtoms(result) {\n    var mf=result.mf;\n    var parts=mf.split(/(?=[A-Z])/);\n    var atoms={};\n    for (var part of parts) {\n        var label=part.replace(/[0-9]/g,'');\n        var number=part.replace(/[^0-9]/g,'')*1 || 1;\n        atoms[label]=number;\n    }\n    result.atoms=atoms;\n}\n\n\nfunction addRatios(result, stats) {\n    var ratios = result.pubchem.ratios={};\n\n    for (var j=0; j < stats.length; j++) {\n        var stat=stats[j];\n        var kind=stat.kind;\n        var sd=stat.standardDeviation;\n        var mean=stat.mean;\n        var topAtoms = kind.split(\"/\")[0];\n        var bottomAtoms = kind.split(\"/\")[1];\n        var topAtomsArray = topAtoms.split(/(?=[A-Z])/);\n        var bottomAtomsArray = bottomAtoms.split(/(?=[A-Z])/);\n        var top=getSumAtoms(topAtomsArray, result.atoms);\n        var bottom=getSumAtoms(bottomAtomsArray, result.atoms);\n        if (top!==0 && bottom!==0) {\n            var ratio=Math.log2(top/bottom);\n            ratios[kind]={\n                sparkline: [-8,\n                    mean-3*sd,mean-3*sd, mean,\n                    mean+3*sd, mean+3*sd, 8],\n                options: {\n                    \"type\": \"box\",\n                    \"raw\": false,\n                    \"boxLineColor\": \"lightgrey\",\n                    \"boxFillColor\": \"lightgrey\",\n                    \"whiskerColor\": \"rgba(0,0,0,0)\",\n                    \"medianColor\": \"black\",\n                    \"lineColor\": \"grey\",\n                    \"target\": ratio+0.0000001,\n                    \"targetColor\": \"red\"\n                },\n                value: ratio\n            };\n        }\n    }\n}\n\n\nfunction getStatsForMass(targetMass, allStats) {\n    for (var stats of allStats) {\n        if (targetMass >= stats.minMass && targetMass < stats.maxMass)\n            return stats;\n    }\n}\n\nfunction getSumAtoms(atoms, mf) {\n    var sum = 0;\n    for(var k=0; k < atoms.length; k++) {\n        if (mf[atoms[k]]) sum += mf[atoms[k]];\n    }\n    return sum;\n}\n\n\nfunction addRatiosScore(result, stats) {\n    var score = 1;\n    var ratios = result.pubchem.ratios;\n    var total = 0;\n    for (var i=0; i < stats.length; ++i) { // For all the MF in stats\n        var kind = stats[i].kind;\n        var ratio=ratios[kind];\n        var mean = stats[i].mean;\n        var sd = stats[i].standardDeviation;\n\n        if (ratio) {\n            var currentRatio = ratio.value;\n            if (currentRatio!==0) {\n                total++;\n                var distance = Math.abs(currentRatio-mean) / sd;\n                var currentScore=Math.pow(0.8, distance);\n                score*=currentScore;\n            }\n            ratios[kind].score=currentScore;\n        }\n    }\n    result.pubchem.score=Math.pow(score, 1/total);\n}\n\n\nmodule.exports=mfFromMonoisotopicMassPubchemPromise;\n","var getReferenceList = require('./getReferenceList.js');\n\nfunction getContaminantsReferenceList() {\n    return getReferenceList(\n        'https://googledocs.cheminfo.org/spreadsheets/d/1LrJCl9-xSZKhGA9Y8nKVkYwB-mEOHBkTXg5qYXeFpZY/export?format=tsv',\n        'https://googledocs.cheminfo.org/spreadsheets/d/1C_H9aiJyu9M9in7sHMOaz-d3Sv758rE72oLxEKH9ioA/export?format=tsv'\n    );\n}\n\nmodule.exports = getContaminantsReferenceList;\n\n\n\n","/* @license\nPapa Parse\nv4.6.3\nhttps://github.com/mholt/PapaParse\nLicense: MIT\n*/\nArray.isArray||(Array.isArray=function(e){return\"[object Array]\"===Object.prototype.toString.call(e)}),function(e,t){\"function\"==typeof define&&define.amd?define([],t):\"object\"==typeof module&&\"undefined\"!=typeof exports?module.exports=t():e.Papa=t()}(this,function(){\"use strict\";var s,e,f=\"undefined\"!=typeof self?self:\"undefined\"!=typeof window?window:void 0!==f?f:{},n=!f.document&&!!f.postMessage,o=n&&/(\\?|&)papaworker(=|&|$)/.test(f.location.search),a=!1,h={},u=0,k={parse:function(e,t){var r=(t=t||{}).dynamicTyping||!1;z(r)&&(t.dynamicTypingFunction=r,r={});if(t.dynamicTyping=r,t.transform=!!z(t.transform)&&t.transform,t.worker&&k.WORKERS_SUPPORTED){var i=function(){if(!k.WORKERS_SUPPORTED)return!1;if(!a&&null===k.SCRIPT_PATH)throw new Error(\"Script path cannot be determined automatically when Papa Parse is loaded asynchronously. 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function(){e.apply(t,arguments)}}function z(e){return\"function\"==typeof e}return o?f.onmessage=function(e){var t=e.data;void 0===k.WORKER_ID&&t&&(k.WORKER_ID=t.workerId);if(\"string\"==typeof t.input)f.postMessage({workerId:k.WORKER_ID,results:k.parse(t.input,t.config),finished:!0});else if(f.File&&t.input instanceof File||t.input instanceof Object){var r=k.parse(t.input,t.config);r&&f.postMessage({workerId:k.WORKER_ID,results:r,finished:!0})}}:k.WORKERS_SUPPORTED&&(e=document.getElementsByTagName(\"script\"),s=e.length?e[e.length-1].src:\"\",document.body?document.addEventListener(\"DOMContentLoaded\",function(){a=!0},!0):a=!0),(c.prototype=Object.create(l.prototype)).constructor=c,(p.prototype=Object.create(l.prototype)).constructor=p,(_.prototype=Object.create(_.prototype)).constructor=_,(g.prototype=Object.create(l.prototype)).constructor=g,k});","/*\n C10H -> C10\n C10((Me)N) -> C10\n C10Ala -> C10\n C10Ala((Me)N) -> C10Ala\n */\nmodule.exports = function(mf) {\n    var parenthesis=0;\n    var start=true;\n    for (var i=mf.length-1; i>=0; i--) {\n        var ascii=mf.charCodeAt(i);\n        \n        if (ascii>96 && ascii<123) { // lowercase\n            if (! start && ! parenthesis) {\n                return mf.substr(0, i+1);\n            }\n        } else if (ascii>64 && ascii<91) { // uppercase\n            if (! start && ! parenthesis) {\n                return mf.substr(0, i+1);\n            }\n            start=false;\n        } else if (ascii===40) { // (\n            parenthesis--;\n            if (! parenthesis) return mf.substr(0,i);\n        } else if (ascii===41) { // )\n            parenthesis++;\n        } else {\n            start=false;\n            if (! parenthesis) return mf.substr(0,i+1);\n        }\n    }\n    return \"\";\n}\n","var enumerateRegExp = require('regexp-enumerator');\n\n/**\n * Enumerate molecules given a regular expression.\n * @param {string|RegExp} regexp - Regular expression to enumerate\n * @param {object} options - same parameters as [regexp-enumerator](https://cheminfo-js.github.io/regexp-enumerator/)\n * @return {Array} - Array of molecules generated with the regular expression.\n */\nfunction enumerateMF(regexp, options) {\n    options = options || {};\n    var source = preprocessRegExp(typeof regexp !== 'string' ? regexp.source : regexp);\n    var output = enumerateRegExp(source, options);\n    output = postProcess(output);\n    return output;\n}\n\nmodule.exports = enumerateMF;\n\nfunction preprocessRegExp(string) {\n    var replace = [/\\(/g, /\\)/g, /{/g, /}/g];\n    var to = ['(\\\\((', ')\\\\))', '\\\\{', '\\\\}'];\n\n    for (var i = 0; i < replace.length; i++) {\n        string = string.replace(replace[i], to[i]);\n    }\n\n    return string;\n}\n\nfunction postProcess(output) {\n    return output.map(elem => elem.replace(/\\(\\)/g, ''));\n}","var types = require('./types');\nvar sets  = require('./sets');\n\n\n// All of these are private and only used by randexp.\n// It's 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CTRL.indexOf(dctrl) :\n               SLSH[eslsh];\n\n    var c = String.fromCharCode(code);\n\n    // Escape special regex characters.\n    if (/[\\[\\]{}\\^$.|?*+()]/.test(c)) {\n      c = '\\\\' + c;\n    }\n\n    return c;\n  });\n\n  return str;\n};\n\n\n/**\n * turns class into tokens\n * reads str until it encounters a ] not preceeded by a \\\n *\n * @param {String} str\n * @param {String} regexpStr\n * @return {Array.<Array.<Object>, Number>}\n */\nexports.tokenizeClass = function(str, regexpStr) {\n  /* jshint maxlen: false */\n  var tokens = [];\n  var regexp = /\\\\(?:(w)|(d)|(s)|(W)|(D)|(S))|((?:(?:\\\\)(.)|([^\\]\\\\]))-(?:\\\\)?([^\\]]))|(\\])|(?:\\\\)?(.)/g;\n  var rs, c;\n\n\n  while ((rs = regexp.exec(str)) != null) {\n    if (rs[1]) {\n      tokens.push(sets.words());\n\n    } else if (rs[2]) {\n      tokens.push(sets.ints());\n\n    } else if (rs[3]) {\n      tokens.push(sets.whitespace());\n\n    } else if (rs[4]) {\n      tokens.push(sets.notWords());\n\n    } else if (rs[5]) {\n      tokens.push(sets.notInts());\n\n    } else if (rs[6]) {\n      tokens.push(sets.notWhitespace());\n\n    } else if (rs[7]) {\n      tokens.push({\n        type: types.RANGE,\n        from: (rs[8] || rs[9]).charCodeAt(0),\n          to: rs[10].charCodeAt(0),\n      });\n\n    } else if (c = rs[12]) {\n      tokens.push({\n        type: types.CHAR,\n        value: c.charCodeAt(0),\n      });\n\n    } else {\n      return [tokens, regexp.lastIndex];\n    }\n  }\n\n  exports.error(regexpStr, 'Unterminated character class');\n};\n\n\n/**\n * Shortcut to throw errors.\n *\n * @param {String} regexp\n * @param {String} msg\n */\nexports.error = function(regexp, msg) {\n  throw new SyntaxError('Invalid regular expression: /' + regexp + '/: ' + msg);\n};\n","var types = require('./types');\n\nexports.wordBoundary = function() {\n  return { type: types.POSITION, value: 'b' };\n};\n\nexports.nonWordBoundary = function() {\n  return { type: types.POSITION, value: 'B' };\n};\n\nexports.begin = function() {\n  return { type: types.POSITION, value: '^' };\n};\n\nexports.end = function() {\n  return { type: types.POSITION, value: '$' };\n};\n","'use strict';\n\nvar CC = require('chemcalc');\nvar SimilarityProcessor = require('./SimilarityProcessor');\nvar Stat = require('ml-stat').array;\n\n/*\n\n// We are looking for a specific pattern in an experimental spectrum\n\noptions:\n  * before (default : 0.5)\n  * width (default : theoretical + 1)\n  * common\n  * widthBottom\n  * widthTop\n  * widthFunction\n */\n\nfunction MFSimilarityProcessor(experimental, mf, options) {\n    SimilarityProcessor.call(this, experimental, options);\n\n    // we calculate the theoretical spectrum, normalize (sum to 1) it\n    this.theoretical=CC.analyseMF(mf, {isotopomers:'arrayXXYY'}).arrayXXYY;\n    var xTheoretical=this.theoretical[0];\n    var yTheoretical=this.theoretical[1];\n    var sumY=Stat.sum(yTheoretical);\n    for (var i=0; i<yTheoretical.length; i++) {\n        yTheoretical[i]/=sumY;\n    }\n\n    if (!this.options.before) this.options.before=0.5;\n    if (!this.options.width) this.options.width=xTheoretical[xTheoretical.length]-xTheoretical[0]+0.5;\n}\n\nMFSimilarityProcessor.prototype.process = function (firstX) {\n    if (this.widthFunction) {\n        var width=this.widthFunction(spectrum[0][0])\n        this.similarity.setTrapezoid(width.widthBottom, width.widthTop);\n    }\n\n    var xTheoretical=this.theoretical[0];\n    var yTheoretical=this.theoretical[1];\n    var shift=-xTheoretical[0]+firstX;\n    for (var i=0; i<yTheoretical.length; i++) {\n        xTheoretical[i]+=shift;\n    }\n\n    var from=firstX-this.options.before;\n    var to=firstX+this.options.width;\n\n    return this.similarity.fastSimilarity(this.theoretical, from, to);\n};\n\nmodule.exports = MFSimilarityProcessor;\n","'use strict';\n\nvar Stat=require('ml-stat');\n\nmodule.exports=massPeakPicking;\n\n\nfunction massPeakPicking(x, y) {\n\n// we calculate the noise\n    var noiseLevel=Stat.array.median(y.filter(function(a) {return (a>0)}))*3;\n\n    return gsd(x, y, {\n        noiseLevel: noiseLevel\n    });\n}\n\nfunction gsd(x, y, options){\n    options=options || {};\n    if (options.minMaxRatio===undefined) options.minMaxRatio=0.00025;\n    if (options.noiseLevel===undefined) options.noiseLevel=0;;\n\n    if (options.noiseLevel>0) {\n        y=[].concat(y);\n        for (var i=0; i<y.length; i++){\n            if(Math.abs(y[i])<options.noiseLevel) {\n                y[i]=0;\n            }\n        }\n    }\n\n    // fill convolution frequency axis\n    var X = [];//x[2:(x.length-2)];\n\n    // fill Savitzky-Golay polynomes\n    var size= x.length-4;\n    var Y = new Array(size);\n    var dY = new Array(size);\n    var ddY = new Array(size);\n\n    //var dx = x[1]-x[0];\n\n    for (var j = 2; j < size+2; j++) {\n        var dx = x[j]-x[j-1];\n        Y[j-2]=(1/35.0)*(-3*y[j-2] + 12*y[j-1] + 17*y[j] + 12*y[j+1] - 3*y[j+2]);\n        X[j-2]=x[j];\n        dY[j-2]=(1/(12*dx))*(y[j-2] - 8*y[j-1] + 8*y[j+1] - y[j+2]);\n        ddY[j-2]=(1/(7*dx*dx))*(2*y[j-2] - y[j-1] - 2*y[j] - y[j+1] + 2*y[j+2]);\n    }\n\n    var maxDdy=0;\n    //console.log(Y.length);\n    for (var i = 0; i < Y.length ; i++){\n        if(Math.abs(ddY[i])>maxDdy){\n            maxDdy = Math.abs(ddY[i]);\n        }\n    }\n    //console.log(maxY+\"x\"+maxDy+\"x\"+maxDdy);\n    var minddY = [];\n    var intervals = [];\n    var stackInt = [];\n    for (var i = 1; i < Y.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            //console.log(X[i])\n            stackInt.push(X[i]);\n        }\n\n        if ((dY[i] >= dY[i-1]) && (dY[i] > dY[i+1])||\n            (dY[i] > dY[i-1]) && (dY[i] >= dY[i+1])) {\n            try{\n                intervals.push( [X[i] , stackInt.pop()] );\n            }\n            catch(e){\n                console.log(\"Error I don't know why \"+e);\n            }\n        }\n\n        if ((ddY[i] < ddY[i-1]) && (ddY[i] < ddY[i+1])) {\n            minddY.push( [X[i], Y[i], i] );  // TODO should we change this to have 3 arrays ? Huge overhead creating arrays\n        }\n    }\n\n\n    var signals = [];\n\n    Y.sort(function(a, b){return b-a});\n\n    for (var j = 0; j < minddY.length; j++){\n        var f = minddY[j];\n        var frequency = f[0];\n        var possible = [];\n        for (var k=0; k<intervals.length; k++){\n            var i = intervals[k];\n            if(Math.abs(frequency-(i[0]+i[1])/2)<Math.abs(i[0]-i[1])/2)\n                possible.push(i);\n        }\n        //console.log(possible);\n        //console.log(\"possible \"+possible.length);\n        if (possible.length > 0)\n            if (possible.length == 1)\n            {\n                var inter = possible[0];\n                var linewidth = Math.abs(inter[1] - inter[0]);\n                var height = f[1];\n                //console.log(height, options.minMaxRatio, Y[0]);\n                if (Math.abs(height) > options.minMaxRatio*Y[0]) {\n                    signals.push({\n                        x: frequency,\n                        y: height,\n                        width: linewidth\n                    })\n                }\n            }\n            else\n            {\n                //TODO: nested peaks\n                //console.log(\"Nested \"+possible);\n            }\n    }\n\n    signals.sort(function (a, b) {\n        return a.x - b.x;\n    });\n\n    return signals;\n}\n","'use strict';\n\nvar WorkerManager = require('web-worker-manager');\n\nvar bestResults = require('./bestResults');\n\nmodule.exports = MFProcessorWorker;\n\nfunction MFProcessorWorker(managerOptions) {\n    if (!managerOptions.url) {\n        throw new Error('URL to the chemcalc extended library is required');\n    }\n    managerOptions.deps = [managerOptions.url];\n    this.managerOptions = managerOptions;\n    this.manager = null;\n    this._init();\n}\n\nMFProcessorWorker.prototype._init = function () {\n    this.manager = new WorkerManager(insideMFProcessor, this.managerOptions);\n};\n\nMFProcessorWorker.prototype.callbacks = function (callBacksOptions) {\n    callBacksOptions = callBacksOptions || {};\n    this.onStep = callBacksOptions.onStep || Function.prototype;\n    this.onError = callBacksOptions.onError || Function.prototype;\n};\n\nMFProcessorWorker.prototype.init = function (experimental, calculationOptions) {\n    this.calculationOptions=calculationOptions;\n    return this.manager.postAll('init', [experimental, calculationOptions]);\n};\n\nMFProcessorWorker.prototype.process = function (mfs) {\n    if (!Array.isArray(mfs)) {\n        throw new TypeError('mfs must be an array');\n    }\n    var self = this;\n    return new Promise(function (resolve, reject) {\n        var processed = 0;\n        var total = mfs.length;\n        var results = [];\n        mfs.forEach(function (mf) {\n            self.manager.post('data', [mf.mf]).then(\n                function (result) {\n                    result.parts = mf;\n                    results.push(result);\n                    if (results.length > self.calculationOptions.maxResults * 2) {\n                        results = bestResults(results, self.calculationOptions.bestOf, self.calculationOptions.maxResults, self.calculationOptions.minSimilarity);\n                    }\n\n                },\n                self.onError\n            ).then(function () {\n                processed++;\n                self.onStep(processed, total);\n                if (processed === total) {\n                    results = bestResults(results, self.calculationOptions.bestOf, self.calculationOptions.maxResults, self.calculationOptions.minSimilarity);\n                    results=results.map(function(a) {\n                        var ppm=((a.msem-self.calculationOptions.mass)/(a.msem))*1e6;\n                        a.ppm=Math.round(ppm*100)/100;\n                        a.absppm=Math.abs(a.ppm*100)/100;\n                        return a;\n                    });\n                    resolve(results);\n                }\n            });\n        });\n    });\n};\n\nMFProcessorWorker.prototype.reset = function () {\n    this.manager.terminate();\n    this._init();\n};\n\nfunction insideMFProcessor() {\n    var processor;\n    worker.on('init', function(send, exp, options) {\n        processor = new chemcalcExtended.MFProcessor(exp, options);\n        send(true);\n    });\n    worker.on('data', function(send, data){\n        send(processor.process(data));\n    });\n}\n","'use strict';\n\nvar workerTemplate = require('./workerTemplate');\n\nvar CORES = navigator.hardwareConcurrency || 1;\n\nvar noop = Function.prototype;\n\nfunction WorkerManager(func, options) {\n    // Check arguments\n    if (typeof func !== 'string' && typeof func !== 'function')\n        throw new TypeError('func argument must be a function');\n    if (options === undefined)\n        options = {};\n    if (typeof options !== 'object' || options === null)\n        throw new TypeError('options argument must be an object');\n\n    this._workerCode = func.toString();\n\n    // Parse options\n    if (options.maxWorkers === undefined || options.maxWorkers === 'auto') {\n        this._numWorkers = Math.min(CORES - 1, 1);\n    } else if (options.maxWorkers > 0) {\n        this._numWorkers = Math.min(options.maxWorkers, CORES);\n    } else {\n        this._numWorkers = CORES;\n    }\n\n    this._workers = new Map();\n    this._timeout = options.timeout || 0;\n    this._terminateOnError = !!options.terminateOnError;\n\n    var deps = options.deps;\n    if (typeof deps === 'string')\n        deps = [deps];\n    if (!Array.isArray(deps))\n        deps = undefined;\n\n    this._id = 0;\n    this._terminated = false;\n    this._working = 0;\n    this._waiting = [];\n\n    this._init(deps);\n}\n\nWorkerManager.prototype._init = function (deps) {\n    var workerURL = workerTemplate.newWorkerURL(this._workerCode, deps);\n\n    for (var i = 0; i < this._numWorkers; i++) {\n        var worker = new Worker(workerURL);\n        worker.onmessage = this._onmessage.bind(this, worker);\n        worker.onerror = this._onerror.bind(this, worker);\n        worker.running = false;\n        worker.id = i;\n        this._workers.set(worker, null);\n    }\n\n    URL.revokeObjectURL(workerURL);\n};\n\nWorkerManager.prototype._onerror = function (worker, error) {\n    if (this._terminated)\n        return;\n    this._working--;\n    worker.running = false;\n    var callback = this._workers.get(worker);\n    if (callback) {\n        callback[1](error.message);\n    }\n    this._workers.set(worker, null);\n    if (this._terminateOnError) {\n        this.terminate();\n    } else {\n        this._exec();\n    }\n};\n\nWorkerManager.prototype._onmessage = function (worker, event) {\n    if (this._terminated)\n        return;\n    this._working--;\n    worker.running = false;\n    var callback = this._workers.get(worker);\n    if (callback) {\n        callback[0](event.data.data);\n    }\n    this._workers.set(worker, null);\n    this._exec();\n};\n\nWorkerManager.prototype._exec = function () {\n    for (var worker of this._workers.keys()) {\n        if (this._working === this._numWorkers ||\n            this._waiting.length === 0) {\n            return;\n        }\n        if (!worker.running) {\n            for (var i = 0; i < this._waiting.length; i++) {\n                var execInfo = this._waiting[i];\n                if (typeof execInfo[4] === 'number' && execInfo[4] !== worker.id) {\n                    // this message is intended to another worker, let's ignore it\n                    continue;\n                }\n                this._waiting.splice(i, 1);\n                worker.postMessage({\n                    action: 'exec',\n                    event: execInfo[0],\n                    args: execInfo[1]\n                }, execInfo[2]);\n                worker.running = true;\n                worker.time = Date.now();\n                this._workers.set(worker, execInfo[3]);\n                this._working++;\n                break;\n            }\n        }\n    }\n};\n\nWorkerManager.prototype.terminate = function () {\n    if (this._terminated) return;\n    for (var entry of this._workers) {\n        entry[0].terminate();\n        if (entry[1]) {\n            entry[1][1](new Error('Terminated'));\n        }\n    }\n    this._workers.clear();\n    this._waiting = [];\n    this._working = 0;\n    this._terminated = true;\n};\n\nWorkerManager.prototype.postAll = function (event, args) {\n    if (this._terminated)\n        throw new Error('Cannot post (terminated)');\n    var promises = [];\n    for (var worker of this._workers.keys()) {\n        promises.push(this.post(event, args, [], worker.id));\n    }\n    return Promise.all(promises);\n};\n\nWorkerManager.prototype.post = function (event, args, transferable, id) {\n    if (args === undefined) args = [];\n    if (transferable === undefined) transferable = [];\n    if (!Array.isArray(args)) {\n        args = [args];\n    }\n    if (!Array.isArray(transferable)) {\n        transferable = [transferable];\n    }\n\n    var self = this;\n    return new Promise(function (resolve, reject) {\n        if (self._terminated) throw new Error('Cannot post (terminated)');\n        self._waiting.push([event, args, transferable, [resolve, reject], id]);\n        self._exec();\n    });\n};\n\nmodule.exports = WorkerManager;\n","'use strict';\n\nvar worker = function () {\n    var window = self.window = self;\n    function ManagedWorker() {\n        this._listeners = {};\n    }\n    ManagedWorker.prototype.on = function (event, callback) {\n        if (this._listeners[event])\n            throw new RangeError('there is already a listener for ' + event);\n        if (typeof callback !== 'function')\n            throw new TypeError('callback argument must be a function');\n        this._listeners[event] = callback;\n    };\n    ManagedWorker.prototype._send = function (id, data, transferable) {\n        if (transferable === undefined) {\n            transferable = [];\n        } else if (!Array.isArray(transferable)) {\n            transferable = [transferable];\n        }\n        self.postMessage({\n            id: id,\n            data: data\n        }, transferable);\n    };\n    ManagedWorker.prototype._trigger = function (event, args) {\n        if (!this._listeners[event])\n            throw new Error('event ' + event + ' is not defined');\n        this._listeners[event].apply(null, args);\n    };\n    var worker = new ManagedWorker();\n    self.onmessage = function (event) {\n        switch(event.data.action) {\n            case 'exec':\n                event.data.args.unshift(function (data, transferable) {\n                    worker._send(event.data.id, data, transferable);\n                });\n                worker._trigger(event.data.event, event.data.args);\n                break;\n            case 'ping':\n                worker._send(event.data.id, 'pong');\n                break;\n            default:\n                throw new Error('unexpected action: ' + event.data.action);\n        }\n    };\n    \"CODE\";\n};\n\nvar workerStr = worker.toString().split('\"CODE\";');\n\nexports.newWorkerURL = function newWorkerURL(code, deps) {\n    var blob = new Blob(['(', workerStr[0], 'importScripts.apply(self, ' + JSON.stringify(deps) + ');\\n', '(', code, ')();', workerStr[1], ')();'], {type: 'application/javascript'});\n    return URL.createObjectURL(blob);\n};\n","'use strict';\n\nmodule.exports = analyseMF;\nvar CC = require('chemcalc');\n\n\nfunction analyseMF(mf, options) {\n    var result=CC.analyseMF(mf, options);\n    var atoms={};\n    result.atoms=atoms;\n    for (var part of result.parts) {\n        for (var atom of part.ea) {\n            if (! atoms[atom.element]) {\n                atoms[atom.element]=0;\n            }\n            atoms[atom.element]+=atom.number*part.number;\n        }\n    }\n\n    if (result.parts.length>1) {\n        var totalMF=[];\n        for (var atom of Object.keys(result.atoms)) {\n            var number=result.atoms[atom];\n            totalMF.push(atom+((number!==1) ? number : '') );\n        }\n        result.totalMF=totalMF.join('');\n    }\n\n    return result;\n};\n","import ret from 'ret';\n\nconst allowedTypes = [ret.types.CHAR];\nconst call = {};\ncall[ret.types.CHAR] = onChar;\n\nexport function createCharMap(tokens) {\n    var map = {};\n    for (var i = 0; i < tokens.length; ++i) {\n        var currentToken = tokens[i];\n        if (!allowedTypes.includes(currentToken.type)) {\n            throw new RangeError('universe must be a regexp of letters');\n        }\n\n        call[currentToken.type](map, currentToken);\n    }\n\n    return map;\n}\n\n// only support chars and ranges\nexport function createRegexpMap(set) {\n    var map = {};\n    for (var i = 0; i < set.length; ++i) {\n        var currentToken = set[i];\n        switch (currentToken.type) {\n            case ret.types.CHAR:\n                map[currentToken.value] = currentToken;\n                break;\n            case ret.types.RANGE:\n                for (var j = currentToken.from; j <= currentToken.to; ++j) {\n                    map[j] = {\n                        type: ret.types.CHAR,\n                        value: j\n                    };\n                }\n                break;\n            default:\n        }\n    }\n\n    return map;\n}\n\nexport function pushArray(arr, toPush) {\n    for (var i = 0; i < toPush.length; ++i) {\n        arr.push(toPush[i]);\n    }\n}\n\nfunction onChar(map, token) {\n    map[token.value] = token;\n}\n","import ret from 'ret';\nimport {createCharMap, pushArray, createRegexpMap} from './utils';\n\n/**\n * Function that generates all possible strings given a regular expression.\n * @param {string|regexp} regexp - regular expression to use\n * @param {object} options\n * @param {regexp} [options.universe=/[a-z]/] - universe of letters allowed for the 'not' operator.\n * @param {number} [options.maxSize=10] - max string size of the generated output.\n * @return {Array} - generated string given the regular expression.\n */\nexport default function enumerateRegExp(regexp, options = {}) {\n    var {\n        maxSize = 10,\n        universe = /[a-z]/\n    } = options;\n\n    var source = typeof regexp === 'string' ? regexp : regexp.source;\n    var tokens = ret(source);\n\n    var charSetTokens = ret(universe.source);\n\n    if (charSetTokens.stack[0].set) {\n        var charMap = createRegexpMap(charSetTokens.stack[0].set);\n    } else {\n        charMap = createCharMap(charSetTokens.stack);\n    }\n\n    return generate(tokens, [''], {\n        tokens: tokens,\n        charMap: charMap,\n        infSize: maxSize\n    });\n}\n\n/**\n * @private\n * Generate recursively all the possible string from the given tokens.\n * @param {object} tokens - current regexp tokens to process.\n * @param {Array} build - array of strings build until the current recursive call.\n * @param {object} common - common elements for each recursive call.\n * @return {Array} - current possible combination given the build.\n */\n\nfunction generate(tokens, build, common) {\n    var isGroup = tokens.type === ret.types.ROOT || tokens.type === ret.types.GROUP;\n    var newBuild = [];\n\n    if (tokens.options) {\n        var options = tokens.options;\n        for (var i = 0; i < options.length; ++i) {\n            pushArray(newBuild, generate(options[i], build, common));\n        }\n        build = newBuild;\n    } else {\n        var stack = isGroup ? tokens.stack : tokens;\n        for (i = 0; i < stack.length; ++i) {\n            var currentToken = stack[i];\n            newBuild = [];\n\n            switch (currentToken.type) {\n                case ret.types.CHAR:\n                    var str = String.fromCharCode(currentToken.value);\n                    pushArray(newBuild, build.map(a => a + str));\n                    break;\n                case ret.types.SET:\n                    var tokenSet;\n                    if (currentToken.not) {\n                        var currentTokenMap = createRegexpMap(currentToken.set);\n                        var universe = Object.keys(common.charMap);\n                        var availableTokens = [];\n                        for (var j = 0; j < universe.length; ++j) {\n                            var universeToken = universe[j];\n                            if (currentTokenMap[universeToken] === undefined) {\n                                availableTokens.push(common.charMap[universeToken]);\n                            }\n                        }\n                        tokenSet = availableTokens;\n                    } else {\n                        tokenSet = currentToken.set;\n                    }\n\n                    for (j = 0; j < tokenSet.length; ++j) {\n                        pushArray(newBuild, generate([tokenSet[j]], build, common));\n                    }\n                    break;\n                case ret.types.GROUP:\n                    pushArray(newBuild, generate(currentToken, build, common));\n                    break;\n                case ret.types.RANGE:\n                    for (j = currentToken.from; j <= currentToken.to; ++j) {\n                        var currentChar = String.fromCharCode(j);\n                        pushArray(newBuild, build.map(elem => elem + currentChar));\n                    }\n                    break;\n                case ret.types.REPETITION:\n                    j = 0;\n                    newBuild = build;\n                    for (; j < currentToken.min; ++j) {\n                        build = newBuild = generate([currentToken.value], build, common);\n                    }\n\n                    // from min to max\n                    var max = currentToken.max !== Infinity ? currentToken.max : common.infSize;\n                    for (; j < max; ++j) {\n                        pushArray(newBuild, generate([currentToken.value], newBuild, common));\n                    }\n\n                    newBuild = Array.from(new Set(newBuild));\n                    break;\n                case ret.types.POSITION:\n                    // case for '$' '^', don't touch the previous build\n                    continue;\n                default:\n                    throw new Error('Unsupported type:', currentToken.type);\n            }\n\n            build = newBuild;\n        }\n    }\n\n    return build;\n}\n"],"sourceRoot":""}