OpenMS
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Scoring of an elution peak using an exponentially modified gaussian distribution model. More...
#include <OpenMS/FEATUREFINDER/EmgScoring.h>
Public Member Functions | |
EmgScoring ()=default | |
~EmgScoring ()=default | |
void | setFitterParam (const Param ¶m) |
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 ¤t_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 ¤t_section, std::vector< LocalPeakType > &data_to_fit, bool smooth_data) const |
Protected Attributes | |
Param | fitter_emg1D_params_ |
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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default |
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calculate the elution profile fit score
References EmgScoring::elutionModelFit(), MRMTransitionGroup< ChromatogramType, TransitionType >::getChromatograms(), Feature::getConvexHulls(), MRMFeature::getFeature(), OpenMS::Constants::k, OPENMS_PRECONDITION, and MRMTransitionGroup< ChromatogramType, TransitionType >::size().
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References EmgScoring::fitRT_(), and EmgScoring::prepareFit_().
Referenced by EmgScoring::calcElutionFitScore().
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References EmgFitter1D::fit1d(), EmgScoring::fitter_emg1D_params_, and DefaultParamHandler::setParameters().
Referenced by EmgScoring::elutionModelFit().
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Get default params for the Emg1D fitting.
References DefaultParamHandler::getDefaults().
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overwrites params for the Emg1DFitter. Unspecified params will stay default. use getDefaults to see what you can set.
References EmgScoring::fitter_emg1D_params_.
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Referenced by EmgScoring::fitRT_(), and EmgScoring::setFitterParam().