OpenMS  2.8.0
Public Member Functions | List of all members
MzQCFile Class Reference

File adapter for mzQC files used to load and store mzQC files. More...

#include <OpenMS/FORMAT/MzQCFile.h>

Public Member Functions

 MzQCFile ()=default
 
void store (const String &input_file, const String &output_file, const MSExperiment &exp, const String &contact_name, const String &contact_address, const String &description, const String &label, const FeatureMap &feature_map, std::vector< ProteinIdentification > &prot_ids, std::vector< PeptideIdentification > &pep_ids) const
 Stores QC data in mzQC file with JSON format. More...
 

Detailed Description

File adapter for mzQC files used to load and store mzQC files.

This class collects the data for the mzQC File

Constructor & Destructor Documentation

◆ MzQCFile()

MzQCFile ( )
default

Member Function Documentation

◆ store()

void store ( const String input_file,
const String output_file,
const MSExperiment exp,
const String contact_name,
const String contact_address,
const String description,
const String label,
const FeatureMap feature_map,
std::vector< ProteinIdentification > &  prot_ids,
std::vector< PeptideIdentification > &  pep_ids 
) const

Stores QC data in mzQC file with JSON format.

Parameters
input_filemzML input file name
output_filemzQC output file name
expMSExperiment to extract QC data from, prior sortSpectra() and updateRanges() required
contact_namename of the person creating the mzQC file
contact_addresscontact address (mail/e-mail or phone) of the person creating the mzQC file
descriptiondescription and comments about the mzQC file contents
labelunique and informative label for the run
feature_mapFeatureMap from feature file (featureXML)
prot_idsprotein identifications from ID file (idXML)
pep_idsprotein identifications from ID file (idXML)