OpenMS
Public Types | Static Public Member Functions | Static Private Member Functions | Static Private Attributes | List of all members
PeakGroupScoring Class Reference
Analysis » Topdown

scoring functions for PeakGroup. For now, only Qscore has been implemented. For Qscore, the weight vector has been determined by logistic regression. In the future, other technique such as deep learning would be used. More...

#include <OpenMS/ANALYSIS/TOPDOWN/PeakGroupScoring.h>

Collaboration diagram for PeakGroupScoring:
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Public Types

typedef FLASHHelperClasses::LogMzPeak LogMzPeak
 

Static Public Member Functions

static double getQscore (const PeakGroup *pg)
 get QScore for a peak group of specific abs_charge More...
 
static void writeAttCsvForQscoreTraining (const DeconvolvedSpectrum &deconvolved_spectrum, std::fstream &f)
 Write Csv file for Qscore training. More...
 
static void writeAttCsvForQscoreTrainingHeader (std::fstream &f)
 Write Csv file for Qscore training header. More...
 
static double getDLscore (PeakGroup *pg, const MSSpectrum &spec, const FLASHHelperClasses::PrecalculatedAveragine &avg, double tol)
 get Deep learning based peak group score. Not implemented yet. More...
 

Static Private Member Functions

static std::vector< double > toFeatureVector_ (const PeakGroup *pg)
 convert a peak group to a feature vector for setQscore calculation More...
 

Static Private Attributes

static std::vector< double > weight_
 the weights for Qscore calculation More...
 
static const int charge_count_for_DL_scoring_ = 11
 charge and isotope counts for DL scoring. More...
 
static const int iso_count_for_DL_scoring_ = 13
 

Detailed Description

scoring functions for PeakGroup. For now, only Qscore has been implemented. For Qscore, the weight vector has been determined by logistic regression. In the future, other technique such as deep learning would be used.

Member Typedef Documentation

◆ LogMzPeak

typedef FLASHHelperClasses::LogMzPeak LogMzPeak

Member Function Documentation

◆ getDLscore()

static double getDLscore ( PeakGroup *  pg,
const MSSpectrum &  spec,
const FLASHHelperClasses::PrecalculatedAveragine &  avg,
double  tol 
)
static

get Deep learning based peak group score. Not implemented yet.

◆ getQscore()

static double getQscore ( const PeakGroup *  pg)
static

get QScore for a peak group of specific abs_charge

◆ toFeatureVector_()

static std::vector<double> toFeatureVector_ ( const PeakGroup *  pg)
staticprivate

convert a peak group to a feature vector for setQscore calculation

◆ writeAttCsvForQscoreTraining()

static void writeAttCsvForQscoreTraining ( const DeconvolvedSpectrum &  deconvolved_spectrum,
std::fstream &  f 
)
static

Write Csv file for Qscore training.

◆ writeAttCsvForQscoreTrainingHeader()

static void writeAttCsvForQscoreTrainingHeader ( std::fstream &  f)
static

Write Csv file for Qscore training header.

Member Data Documentation

◆ charge_count_for_DL_scoring_

const int charge_count_for_DL_scoring_ = 11
staticprivate

charge and isotope counts for DL scoring.

◆ iso_count_for_DL_scoring_

const int iso_count_for_DL_scoring_ = 13
staticprivate

◆ weight_

std::vector<double> weight_
staticprivate

the weights for Qscore calculation