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: 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: bytes | str | String, spectrum: MSSpectrum) None #
Stores a MSExperiment into a Kroenik file