EmgScoring Class Reference

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

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

List of all members.

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
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_

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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.

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Constructor & Destructor Documentation

EmgScoring

(

)

[inline]

~EmgScoring

(

)

[inline]

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Member Function Documentation

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

calculate the elution profile fit score

References EmgScoring::elutionModelFit(), MRMTransitionGroup< SpectrumType, TransitionType >::getChromatograms(), Feature::getConvexHulls(), MRMFeature::getFeature(), OpenMS::Constants::k, OPENMS_PRECONDITION, and MRMTransitionGroup< SpectrumType, TransitionType >::size().

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

References EmgScoring::fitRT_(), and EmgScoring::prepareFit_().

Referenced by EmgScoring::calcElutionFitScore().

double fitRT_	(	std::vector< LocalPeakType > &	rt_input_data,
		InterpolationModel *&	model
	)			[inline, protected]

References EmgFitter1D::fit1d(), and EmgScoring::fitter_emg1D_.

Referenced by EmgScoring::elutionModelFit().

Param getDefaults

(

)

[inline]

References EmgScoring::fitter_emg1D_, and DefaultParamHandler::getDefaults().

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

References GaussFilter::filter(), DefaultParamHandler::getParameters(), Peak1D::setIntensity(), Peak1D::setMZ(), and DefaultParamHandler::setParameters().

Referenced by EmgScoring::elutionModelFit().

void setFitterParam

(

Param

param

)

[inline]

References EmgScoring::fitter_emg1D_, and DefaultParamHandler::setParameters().

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Member Data Documentation

EmgFitter1D fitter_emg1D_ [protected]

Referenced by EmgScoring::fitRT_(), EmgScoring::getDefaults(), and EmgScoring::setFitterParam().