KroenikFile

class pyopenms.KroenikFile

Bases: object

Cython implementation of _KroenikFile

Original C++ documentation is available here

File adapter for Kroenik (HardKloer sibling) files

The first line is the header and contains the column names: File, First Scan, Last Scan, Num of Scans, Charge, Monoisotopic Mass, Base Isotope Peak, Best Intensity, Summed Intensity, First RTime, Last RTime, Best RTime, Best Correlation, Modifications

Every subsequent line is a feature

All properties in the file are converted to Feature properties, whereas “First Scan”, “Last Scan”, “Num of Scans” and “Modifications” are stored as metavalues with the following names “FirstScan”, “LastScan”, “NumOfScans” and “AveragineModifications”

The width in m/z of the overall convex hull of each feature is set to 3 Th in lack of a value provided by the Kroenik file

__init__(self) → None

Methods

__init__(self)
load(self, filename, feature_map)	Loads a Kroenik file into a featureXML
store(self, filename, spectrum)	Stores a MSExperiment into a Kroenik file

load(self, filename: Union[bytes, str, String], feature_map: FeatureMap) → None

Loads a Kroenik file into a featureXML

The content of the file is stored in features

Raises

Exception: FileNotFound is thrown if the file could not be opened

Raises

Exception: ParseError is thrown if an error occurs during parsing

store(self, filename: Union[bytes, str, String], spectrum: MSSpectrum) → None

Stores a MSExperiment into a Kroenik file