From d2e3d35b7b05128fabe92087a8b6dce54fbd254f Mon Sep 17 00:00:00 2001
From: Olivier Langella <olivier.langella@u-psud.fr>
Date: Sat, 2 Dec 2017 07:10:52 +0100
Subject: [PATCH] precursor m/z and charge added in the spectra tab
---
src/output/ods/spectrasheet.cpp | 6 ++++++
1 file changed, 6 insertions(+)
diff --git a/src/output/ods/spectrasheet.cpp b/src/output/ods/spectrasheet.cpp
index 3a815e4c..9fa49b21 100644
--- a/src/output/ods/spectrasheet.cpp
+++ b/src/output/ods/spectrasheet.cpp
@@ -66,8 +66,12 @@ void SpectraSheet::writeHeaders(IdentificationGroup * p_ident) {
_p_writer->writeCell("Scan");
_p_writer->setCellAnnotation("retention time in seconds");
_p_writer->writeCell("Rt (seconds)");
+ _p_writer->setCellAnnotation("experimental precursor m/z");
+ _p_writer->writeCell("Precursor m/z");
_p_writer->setCellAnnotation("peptide sequence (best match)");
_p_writer->writeCell("Sequence (top)");
+ _p_writer->setCellAnnotation("peptide charge (best match)");
+ _p_writer->writeCell("Charge (top)");
_p_writer->setCellAnnotation("peptide modifications (best match)");
_p_writer->writeCell("Modifs (top)");
if (_p_project->getLabelingMethodSp().get() != nullptr) {
@@ -95,7 +99,9 @@ void SpectraSheet::writeBestPeptideEvidence(const GroupingGroup * p_group,const
_p_writer->writeCell(p_peptide_evidence->getMsRunP()->getSampleName());
_p_writer->writeCell(p_peptide_evidence->getScan());
_p_writer->writeCell(p_peptide_evidence->getRetentionTime());
+ _p_writer->writeCell(p_peptide_evidence->getExperimentalMz());
_p_writer->writeCell(p_peptide_evidence->getPeptideXtpSp().get()->getSequence());
+ _p_writer->writeCell(p_peptide_evidence->getCharge());
_p_writer->writeCell(p_peptide_evidence->getPeptideXtpSp().get()->getModifString());
if (_p_project->getLabelingMethodSp().get() != nullptr) {
const Label * p_label = p_peptide_evidence->getPeptideXtpSp().get()->getLabel();
--
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