OpenMS  2.5.0
Public Member Functions | Protected Member Functions | Protected Attributes | List of all members
EmgScoring Class Reference

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

#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/EmgScoring.h>

Public Member Functions

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

Protected Member Functions

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

Protected Attributes

EmgFitter1D fitter_emg1D_
 

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 ( )
inline

◆ ~EmgScoring()

~EmgScoring ( )
inline

Member Function Documentation

◆ calcElutionFitScore()

double calcElutionFitScore ( MRMFeature mrmfeature,
MRMTransitionGroup< SpectrumType, TransitionT > &  transition_group 
)
inline

◆ elutionModelFit()

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

◆ fitRT_()

double fitRT_ ( std::vector< LocalPeakType > &  rt_input_data,
InterpolationModel *&  model 
)
inlineprotected

◆ getDefaults()

Param getDefaults ( )
inline

◆ prepareFit_()

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

◆ setFitterParam()

void setFitterParam ( Param  param)
inline

Member Data Documentation

◆ fitter_emg1D_

EmgFitter1D fitter_emg1D_
protected