Commit 8f88cdd7 authored by Filippo Rusconi's avatar Filippo Rusconi

New upstream version 73~svn

parent 76d41ad5
......@@ -1696,6 +1696,7 @@ void MSReader::writeTextSpec(FILE* fileOut, Spectrum& s) {
fprintf(fileOut,"BEGIN IONS\n");
fprintf(fileOut,"PEPMASS=%.*f\n",6,s.atZ(i).mz);
fprintf(fileOut,"CHARGE=%d+\n",s.atZ(i).z);
fprintf(fileOut,"RTINSECONDS=%d\n",(int)(s.getRTime()*60));
fprintf(fileOut,"TITLE=%s.%d.%d.%d %d %.4f\n","test",s.getScanNumber(),s.getScanNumber(true),s.atZ(i).z,i,s.getRTime());
for(j=0;j<s.size();j++){
sprintf(t,"%.*f",iIntensityPrecision,s.at(j).intensity);
......@@ -1718,10 +1719,13 @@ void MSReader::writeTextSpec(FILE* fileOut, Spectrum& s) {
} else {
fprintf(fileOut,"BEGIN IONS\n");
fprintf(fileOut,"PEPMASS=%.*f\n",6,s.getMZ());
fprintf(fileOut,"RTINSECONDS=%d\n",(int)(s.getRTime()*60));
if(s.sizeZ()==1){
if(s.atZ(0).z==1) fprintf(fileOut,"CHARGE=1+\n");
fprintf(fileOut,"TITLE=%s.%d.%d.%d %d %.4f\n","test",s.getScanNumber(),s.getScanNumber(true),s.atZ(0).z,0,s.getRTime());
} else {
fprintf(fileOut,"TITLE=%s.%d.%d.%d %d %.4f\n","test",s.getScanNumber(),s.getScanNumber(true),0,0,s.getRTime());
}
fprintf(fileOut,"TITLE=%s.%d.%d.%d %d %.4f\n","test",s.getScanNumber(),s.getScanNumber(true),s.atZ(0).z,0,s.getRTime());
for(j=0;j<s.size();j++){
sprintf(t,"%.*f",iIntensityPrecision,s.at(j).intensity);
k=strlen(t);
......
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