MRMScoring#

class pyopenms.MRMScoring#

Bases: object

Cython implementation of _MRMScoring

Original C++ documentation is available here

__init__()#

Overload:

__init__(self) None

Overload:

__init__(self, in_0: MRMScoring) None

Methods

__init__

Overload:

calcMIPrecursorCombinedScore(self)

calcMIPrecursorContrastScore(self)

calcMIPrecursorScore(self)

calcMIScore(self)

calcMIWeightedScore(self, ...)

calcRTScore(self, peptide, ...)

calcSeparateMIContrastScore(self)

calcSeparateXcorrContrastCoelutionScore(self)

Calculate the separate cross-correlation contrast score

calcSeparateXcorrContrastShapeScore(self)

Calculate the separate cross-correlation contrast shape score

calcXcorrCoelutionScore(self)

Calculate the cross-correlation coelution score.

calcXcorrCoelutionWeightedScore(self, ...)

Calculate the weighted cross-correlation coelution score

calcXcorrPrecursorContrastCoelutionScore(self)

Calculate the precursor cross-correlation contrast score against the transitions

calcXcorrPrecursorContrastShapeScore(self)

Calculate the precursor cross-correlation shape score against the transitions

calcXcorrShapeScore(self)

Calculate the cross-correlation shape score

calcXcorrShapeWeightedScore(self, ...)

Calculate the weighted cross-correlation shape score

getMIMatrix(self)

calcMIPrecursorCombinedScore(self) float#
calcMIPrecursorContrastScore(self) float#
calcMIPrecursorScore(self) float#
calcMIScore(self) float#
calcMIWeightedScore(self, normalized_library_intensity: List[float]) float#
calcRTScore(self, peptide: LightCompound, normalized_experimental_rt: float) float#
calcSeparateMIContrastScore(self) List[float]#
calcSeparateXcorrContrastCoelutionScore(self) List[float]#

Calculate the separate cross-correlation contrast score

calcSeparateXcorrContrastShapeScore(self) List[float]#

Calculate the separate cross-correlation contrast shape score

calcXcorrCoelutionScore(self) float#

Calculate the cross-correlation coelution score. The score is a distance where zero indicates perfect coelution

calcXcorrCoelutionWeightedScore(self, normalized_library_intensity: List[float]) float#

Calculate the weighted cross-correlation coelution score

The score is a distance where zero indicates perfect coelution. The score is weighted by the transition intensities, non-perfect coelution in low-intensity transitions should thus become less important

calcXcorrPrecursorContrastCoelutionScore(self) float#

Calculate the precursor cross-correlation contrast score against the transitions

The score is a distance where zero indicates perfect coelution

calcXcorrPrecursorContrastShapeScore(self) float#

Calculate the precursor cross-correlation shape score against the transitions

calcXcorrShapeScore(self) float#

Calculate the cross-correlation shape score

The score is a correlation measure where 1 indicates perfect correlation and 0 means no correlation.

calcXcorrShapeWeightedScore(self, normalized_library_intensity: List[float]) float#

Calculate the weighted cross-correlation shape score

The score is a correlation measure where 1 indicates perfect correlation and 0 means no correlation. The score is weighted by the transition intensities, non-perfect coelution in low-intensity transitions should thus become less important

getMIMatrix(self) MatrixDouble#