35 #ifndef OPENMS_ANALYSIS_RNPXL_PSCORE_H 36 #define OPENMS_ANALYSIS_RNPXL_PSCORE_H 60 static std::vector<Size> calculateIntensityRankInMZWindow(
const std::vector<double>& mz,
const std::vector<double>& intensities,
double mz_window);
71 static std::vector<std::vector<Size> > calculateRankMap(
const PeakMap& peak_map,
double mz_window = 100);
78 static std::map<Size, PeakSpectrum > calculatePeakLevelSpectra(
const PeakSpectrum& spec,
const std::vector<Size>& ranks,
Size min_level = 1,
Size max_level = 9);
89 static double computePScore(
double fragment_mass_tolerance,
bool fragment_mass_tolerance_unit_ppm,
const std::map<Size, PeakSpectrum>& peak_level_spectra,
const std::vector<PeakSpectrum>& theo_spectra,
double mz_window = 100.0);
98 static double computePScore(
double fragment_mass_tolerance,
bool fragment_mass_tolerance_unit_ppm,
const std::map<Size, PeakSpectrum>& peak_level_spectra,
const PeakSpectrum& theo_spectrum,
double mz_window = 100.0);
102 static double massCorrectionTerm(
double mass);
106 static double cleavageCorrectionTerm(
Size cleavages,
bool consecutive_cleavage);
110 static double modificationCorrectionTerm(
Size modifications);
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
The representation of a 1D spectrum.
Definition: MSSpectrum.h:67
Implementation of the PScore PSM scoring algorithm.
Definition: PScore.h:50
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:82
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:128