MetaProSIPXICExtraction Class Reference

Static Public Member Functions
static vector< vector< double > >	extractXICs (double seed_rt, vector< double > xic_mzs, double mz_toelrance_ppm, double rt_tolerance_s, const PeakMap &peak_map)
static vector< double >	correlateXICsToMono (const vector< vector< double > > &xics)
static vector< double >	extractXICsOfIsotopeTraces (Size element_count, double mass_diff, double mz_tolerance_ppm, double rt_tolerance_s, double seed_rt, double seed_mz, double seed_charge, const PeakMap &peak_map, const double min_corr_mono=-1.0)

Member Function Documentation

correlateXICsToMono()

static vector<double> correlateXICsToMono ( const vector< vector< double > > &  xics )

inlinestatic

References OpenMS::Math::pearsonCorrelationCoefficient().

extractXICs()

static vector<vector<double> > extractXICs ( double  seed_rt, vector< double >  xic_mzs, double  mz_toelrance_ppm, double  rt_tolerance_s, const PeakMap &  peak_map  )

inlinestatic

References MSExperiment::areaBeginConst(), MSExperiment::areaEndConst(), AreaIterator< ValueT, ReferenceT, PointerT, SpectrumIteratorT, PeakIteratorT >::getRT(), LOG_WARN, and MSExperiment::RTBegin().

extractXICsOfIsotopeTraces()

static vector<double> extractXICsOfIsotopeTraces ( Size  element_count, double  mass_diff, double  mz_tolerance_ppm, double  rt_tolerance_s, double  seed_rt, double  seed_mz, double  seed_charge, const PeakMap &  peak_map, const double  min_corr_mono = -1.0  )

inlinestatic

References OpenMS::Constants::k.

Referenced by TOPPMetaProSIP::main_().