MS1LabeledSpectra Class Reference

Load MS1 peaks and scan metadata for the MS1 labeling workflow. More...

#include <MS1LabeledWorkflow/MS1LabeledSpectra.h>

Static Public Member Functions
static void	load (const std::string &filename, MSExperiment &metadata, MSExperiment &ms1, ProgressLogger::LogType log_type)
	Read mzML or Thermo RAW (requires WITH_THERMO_RAW), retaining all scan metadata but only MS1 peaks.
static void	addMissingSpectrumReferences (const MSExperiment &metadata, PeptideIdentificationList &ids)

Detailed Description

Load MS1 peaks and scan metadata for the MS1 labeling workflow.

Member Function Documentation

addMissingSpectrumReferences()

void addMissingSpectrumReferences ( const MSExperiment &  metadata, PeptideIdentificationList &  ids  )

static

Repair absent/empty references from MS2 RTs. Call FAIMS CV annotation/repair first for FAIMS data. Existing references are preserved; missing matches throw MissingInformation.

References ExposedVector< VectorElement >::begin(), ExposedVector< VectorElement >::end(), SpectrumLookup::findByRT(), and SpectrumLookup::readSpectra().

load()

void load ( const std::string &  filename, MSExperiment &  metadata, MSExperiment &  ms1, ProgressLogger::LogType  log_type  )

static

Read mzML or Thermo RAW (requires WITH_THERMO_RAW), retaining all scan metadata but only MS1 peaks.

References MSExperiment::addSpectrum(), MSExperiment::clear(), MSSpectrum::clear(), MSExperiment::getChromatograms(), FileHandler::getOptions(), MSExperiment::getSpectra(), FileHandler::getType(), FileHandler::loadExperiment(), FileTypes::MZML, FileTypes::RAW, MSExperiment::reserve(), PeakFileOptions::setFillData(), PeakFileOptions::setMSLevels(), MSExperiment::size(), and MSExperiment::updateRanges().