NuXLReport Struct Reference

create PSM report More...

#include <OpenNuXL/include/NuXLReport.h>

Static Public Member Functions
static std::vector< NuXLReportRow >	annotate (const PeakMap &spectra, PeptideIdentificationList &peptide_ids, const StringList &meta_values_to_export, double marker_ions_tolerance)

Detailed Description

create PSM report

Member Function Documentation

annotate()

std::vector< NuXLReportRow > annotate ( const PeakMap &  spectra, PeptideIdentificationList &  peptide_ids, const StringList &  meta_values_to_export, double  marker_ions_tolerance  )

static

References NuXLReportRow::abs_prec_error, NuXLReportRow::accessions, MSExperiment::begin(), NuXLReportRow::best_localization, NuXLReportRow::best_localization_score, NuXLReportRow::charge, MSExperiment::end(), NuXLMarkerIonExtractor::extractMarkerIons(), NuXLReportRow::fragment_annotation, PeptideIdentification::getHits(), AASequence::getMonoWeight(), OpenMS::Math::getPPM(), NuXLReportRow::localization_scores, NuXLReportRow::m_2H, NuXLReportRow::m_3H, NuXLReportRow::m_4H, NuXLReportRow::m_H, NuXLReportRow::marker_ions, NuXLReportRow::meta_values, NuXLReportRow::NA, NuXLReportRow::NA_weight, NuXLReportRow::no_id, OPENMS_PRECONDITION, NuXLReportRow::original_mz, NuXLReportRow::peptide, NuXLReportRow::peptide_weight, OpenMS::Constants::UserParam::PRECURSOR_ERROR_PPM_USERPARAM, OpenMS::Constants::PROTON_MASS_U, NuXLReportRow::rank, NuXLReportRow::rel_prec_error, NuXLReportRow::rt, NuXLReportRow::score, ExposedVector< VectorElement >::size(), OpenMS::StringUtils::toStr(), PeptideHit::PeakAnnotation::writePeakAnnotationsString_(), and NuXLReportRow::xl_weight.