EmgScoring Class Reference

Scoring of an elution peak using an exponentially modified gaussian distribution model. More...


Collaboration diagram for EmgScoring:

Public Member Functions

 EmgScoring ()=default
 ~EmgScoring ()=default
void setFitterParam (const Param &param)
Param getDefaults ()
 Get default params for the Emg1D fitting. More...
template<typename SpectrumType , class TransitionT >
double calcElutionFitScore (MRMFeature &mrmfeature, MRMTransitionGroup< SpectrumType, TransitionT > &transition_group) const
 calculate the elution profile fit score More...
double elutionModelFit (const ConvexHull2D::PointArrayType &current_section, bool smooth_data) const

Protected Member Functions

template<class LocalPeakType >
double fitRT_ (std::vector< LocalPeakType > &rt_input_data, std::unique_ptr< InterpolationModel > &model) const
template<class LocalPeakType >
void prepareFit_ (const ConvexHull2D::PointArrayType &current_section, std::vector< LocalPeakType > &data_to_fit, bool smooth_data) const

Protected Attributes

Param fitter_emg1D_params_

Detailed Description

Scoring of an elution peak using an exponentially modified gaussian distribution model.

This class uses the original ideas from FeatureFinderAlgorithmMRM to construct an interface that allows scoring of chromatographic peaks.

Constructor & Destructor Documentation

◆ EmgScoring()

EmgScoring ( )

◆ ~EmgScoring()

~EmgScoring ( )

Member Function Documentation

◆ calcElutionFitScore()

◆ elutionModelFit()

double elutionModelFit ( const ConvexHull2D::PointArrayType current_section,
bool  smooth_data 
) const

◆ fitRT_()

double fitRT_ ( std::vector< LocalPeakType > &  rt_input_data,
std::unique_ptr< InterpolationModel > &  model 
) const

◆ getDefaults()

Param getDefaults ( )

Get default params for the Emg1D fitting.

References DefaultParamHandler::getDefaults().

◆ prepareFit_()

void prepareFit_ ( const ConvexHull2D::PointArrayType current_section,
std::vector< LocalPeakType > &  data_to_fit,
bool  smooth_data 
) const

◆ setFitterParam()

void setFitterParam ( const Param param)

overwrites params for the Emg1DFitter. Unspecified params will stay default. use getDefaults to see what you can set.

References EmgScoring::fitter_emg1D_params_.

Member Data Documentation

◆ fitter_emg1D_params_

Param fitter_emg1D_params_