MzQCFile

class pyopenms.MzQCFile

Bases: object

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

This class collects the data for the mzQC File

__init__() → None

Methods

__init__()
store(input_file, output_file, exp, ...)	Stores QC data in mzQC file with JSON format

store(input_file: str, output_file: str, exp: pyopenms.MSExperiment, contact_name: str, contact_address: str, description: str, label: str, feature_map: pyopenms.FeatureMap, prot_ids: collections.abc.Sequence[pyopenms.ProteinIdentification], pep_ids: pyopenms.PeptideIdentificationList) → None

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 – Qnique 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)