diff --git a/src/output/ods/spectrasheet.cpp b/src/output/ods/spectrasheet.cpp index 3a815e4c92e81c9bbfe82121f0374d8dab5dc9f6..9fa49b21cace2a796bd1d1b6fadc22754c7ee679 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();