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

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 ( )

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.

Parameters

input_file	mzML input file name
output_file	mzQC output file name
exp	MSExperiment to extract QC data from, prior sortSpectra() and updateRanges() required
contact_name	name of the person creating the mzQC file
contact_address	contact address (mail/e-mail or phone) of the person creating the mzQC file
description	description and comments about the mzQC file contents
label	unique and informative label for the run
feature_map	FeatureMap from feature file (featureXML)
prot_ids	protein identifications from ID file (idXML)
pep_ids	protein identifications from ID file (idXML)