FeatureFinderAlgorithmMetaboIdent

class pyopenms.FeatureFinderAlgorithmMetaboIdent

Bases: object

Cython implementation of _FeatureFinderAlgorithmMetaboIdent

Original C++ documentation is available here

– Inherits from [‘DefaultParamHandler’]

__init__(self) → None

Methods

__init__(self)
getChromatograms(self)	Retrieves chromatograms (empty if run was not executed)
getDefaults(self)	Returns the default parameters
getLibrary(self)	Retrieves the assay library (e.g., to store as TraML, empty if run was not executed)
getMSData(self)	Returns spectra
getNShared(self)	Retrieves number of features with shared identifications
getName(self)	Returns the name
getParameters(self)	Returns the parameters
getSubsections(self)
getTransformations(self)	Retrieves deviations between provided coordinates and extacted ones (e.g., to store as TrafoXML or for plotting)
run(self, metaboIdentTable, features, ...)	Run feature extraction.
setMSData(self, input)	Sets spectra
setName(self, in_0)	Sets the name
setParameters(self, param)	Sets the parameters

getChromatograms(self) → MSExperiment

Retrieves chromatograms (empty if run was not executed)

getDefaults(self) → Param

Returns the default parameters

getLibrary(self) → TargetedExperiment

Retrieves the assay library (e.g., to store as TraML, empty if run was not executed)

getMSData(self) → MSExperiment

Returns spectra

getNShared(self) → int

Retrieves number of features with shared identifications

getName(self) → bytes | str | String

Returns the name

getParameters(self) → Param

Returns the parameters

getSubsections(self) → List[bytes]

getTransformations(self) → TransformationDescription

Retrieves deviations between provided coordinates and extacted ones (e.g., to store as TrafoXML or for plotting)

run(self, metaboIdentTable: List[FeatureFinderMetaboIdentCompound], features: FeatureMap, spectra_path: bytes | str | String) → None

Run feature extraction. spectra_path get’s annotated as primaryMSRunPath in the resulting feature map.

setMSData(self, input: MSExperiment) → None

Sets spectra

setName(self, in_0: bytes | str | String) → None

Sets the name

setParameters(self, param: Param) → None

Sets the parameters