/**
* @function getIsotopicMassOfAtom
* @description
* Code to get absolute mass and intensity values of atoms
*/
getIsotopicMassOfAtom = function(atom){
let Isotopes = [];
if(atom == "C") return getCarbonIsotope();
else if(atom == "H") return getHydrogenIsotope();
else if(atom == "N") return getNitrogenIsotope();
else if(atom == "O") return getOxygenIsotope();
else if(atom == "S") return getSulfurIsotope();
}
getCarbonIsotope = function(/*isotope*/){
let l_acarbonIsotopes = [];
let C12 = {mass:12.000000,intensity:98.93};
let C13 = {mass:13.003355,intensity:1.07};
l_acarbonIsotopes.push(C12);
l_acarbonIsotopes.push(C13);
return l_acarbonIsotopes;
}
getHydrogenIsotope = function(isotope){
let l_ahydrogenIsotopes = [];
let H1 = {mass:1.007825,intensity:99.98};
let H2 = {mass:2.014102,intensity:0.02};
l_ahydrogenIsotopes.push(H1);
l_ahydrogenIsotopes.push(H2);
return l_ahydrogenIsotopes;
}
getOxygenIsotope = function(isotope){
let l_aoxygenIsotopes = [];
let O16 = {mass:15.994915,intensity:99.757};
let O17 = {mass:16.999131,intensity:0.038};
let O18 = {mass:17.999159,intensity:0.205};
l_aoxygenIsotopes.push(O16);
l_aoxygenIsotopes.push(O17);
l_aoxygenIsotopes.push(O18);
return l_aoxygenIsotopes;
}
getNitrogenIsotope = function(isotope){
let l_anitrogenIsotopes = [];
let N14 = {mass:14.003074,intensity:99.63};
let N15 = {mass:15.000109,intensity:0.37};
l_anitrogenIsotopes.push(N14);
l_anitrogenIsotopes.push(N15);
return l_anitrogenIsotopes;
}
getSulfurIsotope = function(isotope){
let l_asulfurIsotopes = [];
let S32 = {mass:31.972072,intensity:94.99};
let S33 = {mass:32.971459,intensity:0.75};
let S34 = {mass:33.967868,intensity:4.25};
let S36 = {mass:35.967079,intensity:0.01};
l_asulfurIsotopes.push(S32);
l_asulfurIsotopes.push(S33);
l_asulfurIsotopes.push(S34);
l_asulfurIsotopes.push(S36);
return l_asulfurIsotopes;
}
/**
* Code to calculate distributions by taking relative
* values of mass and intensity of atoms.
*/
getIsotopicMassRef = function(atom){
let Isotopes = [];
if(atom == "C") return getCarbonRef();
else if(atom == "H") return getHydrogenRef();
else if(atom == "N") return getNitrogenRef();
else if(atom == "O") return getOxygenRef();
else if(atom == "S") return getSulfurRef();
}
getCarbonRef = function(){
let l_acarbonIsotopes = [];
let C12 = {mass:0,intensity:100};
let C13 = {mass:1,intensity:1.0815728};
l_acarbonIsotopes.push(C12);
l_acarbonIsotopes.push(C13);
return l_acarbonIsotopes;
}
getHydrogenRef = function(isotope){
let l_ahydrogenIsotopes = [];
let H1 = {mass:0,intensity:100};
let H2 = {mass:1,intensity:0.0115013};
l_ahydrogenIsotopes.push(H1);
l_ahydrogenIsotopes.push(H2);
return l_ahydrogenIsotopes;
}
getOxygenRef = function(isotope){
let l_aoxygenIsotopes = [];
let O16 = {mass:0,intensity:100};
let O17 = {mass:1,intensity:0.0380926};
let O18 = {mass:2,intensity:0.2054994};
l_aoxygenIsotopes.push(O16);
l_aoxygenIsotopes.push(O17);
l_aoxygenIsotopes.push(O18);
return l_aoxygenIsotopes;
}
getNitrogenRef = function(isotope){
let l_anitrogenIsotopes = [];
let N14 = {mass:0,intensity:100};
let N15 = {mass:1,intensity:0.3653296};
l_anitrogenIsotopes.push(N14);
l_anitrogenIsotopes.push(N15);
return l_anitrogenIsotopes;
}
getSulfurRef = function(isotope){
let l_asulfurIsotopes = [];
let S32 = {mass:0,intensity:100};
let S33 = {mass:1,intensity:0.7895568};
let S34 = {mass:2,intensity:4.4741552};
let S36 = {mass:4,intensity:0.0105274};
l_asulfurIsotopes.push(S32);
l_asulfurIsotopes.push(S33);
l_asulfurIsotopes.push(S34);
l_asulfurIsotopes.push(S36);
return l_asulfurIsotopes;
}