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lines changed Original file line number Diff line number Diff line change 11{
22 "name" : " nmr-simulation" ,
3- "version" : " 0.0.1 " ,
3+ "version" : " 0.0.2 " ,
44 "main" : [
55 " dist/nmr-simulation.js"
66 ],
Original file line number Diff line number Diff line change @@ -3523,7 +3523,7 @@ return /******/ (function(modules) { // webpackBootstrap
35233523 let valFreq = frequencies [ 0 ] ;
35243524 let inte = intensities [ 0 ] ;
35253525 let count = 1 ;
3526- for ( i = 0 ; i < numFreq ; i ++ ) {
3526+ for ( i = 1 ; i < numFreq ; i ++ ) {
35273527 if ( Math . abs ( frequencies [ i ] - valFreq / count ) < diff ) {
35283528 inte += intensities [ i ] ;
35293529 valFreq += frequencies [ i ] ;
Original file line number Diff line number Diff line change 11{
22 "name" : " nmr-simulation" ,
3- "version" : " 0.0.1 " ,
3+ "version" : " 0.0.2 " ,
44 "description" : " Simulate NMR spectra from spin systems" ,
55 "main" : " src/index.js" ,
66 "scripts" : {
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