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Commit decbd630 authored by Olivier Langella's avatar Olivier Langella
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add X!Tandem hyperscore in the spectra output

parent a21a8ac9
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......@@ -40,7 +40,6 @@ import fr.inra.pappso.xtandempipeline.MsException.MSMSException;
import fr.inra.pappso.xtandempipeline.class_msms.Identification;
import fr.inra.pappso.xtandempipeline.class_msms.Match;
import fr.inra.pappso.xtandempipeline.class_msms.MsRun;
import fr.inra.pappso.xtandempipeline.class_msms.Protein;
import fr.inra.pappso.xtandempipeline.class_msms.GroupingProtein.PeptideMass;
import fr.inra.pappso.xtandempipeline.class_msms.GroupingProtein.PeptideMassSet;
import fr.inra.pappso.xtandempipeline.class_msms.MapDb.Peptide;
......@@ -128,6 +127,7 @@ public class OdsSpectraOutput {
odsTable.writeCell("Number of subgroups");
odsTable.writeCell("Sub-groups Ids");
odsTable.writeCell("Best E-value");
odsTable.writeCell("Best hyperscore");
odsTable.writeCell("Charge");
odsTable.writeCell("MH+ Obs");
odsTable.writeCell("MH+ theo");
......@@ -238,8 +238,8 @@ public class OdsSpectraOutput {
try {
logger.debug("writeOneHashSampleScan begin " + group + pepMass);
MsRun msRun = (MsRun) scan.getGrpMsSample();
Protein prot = (Protein) hashSampleScanSetProt.getGrpProtMatch()
.getGrpProtein();
// Protein prot = (Protein) hashSampleScanSetProt.getGrpProtMatch()
// .getGrpProtein();
Peptide bestPeptide = null;
Collection<GrpPeptide> peptideList = hashSampleScanSetProt
.getGrpProtMatch().getGrpPeptides();
......@@ -256,7 +256,7 @@ public class OdsSpectraOutput {
}
}
if (bestPeptide == null) {
//throw new MSMSException("bestPeptide == null");
// throw new MSMSException("bestPeptide == null");
return;
}
// Peptide bestPeptide = pepMass.getBestEvaluePeptide();
......@@ -303,6 +303,9 @@ public class OdsSpectraOutput {
// odsTable.writeCell("Best E-value");
odsTable.writeCell(bestPeptide.get_evalue());
// odsTable.writeCell("Best hyperscore");
odsTable.writeCell(bestPeptide.get_hypercorr());
// odsTable.writeCell("Charge");
odsTable.writeCell(bestPeptide.get_charge());
......
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