40 double total_intensity = 0.0;
41 double target_intensity = 0.0;
42 double signal_proportion = 0.0;
43 Size target_peak_count = 0;
44 Size interfering_peak_count = 0;
57 static std::map<String, PurityScores>
computePrecursorPurities(
const PeakMap& spectra,
double precursor_mass_tolerance,
bool precursor_mass_tolerance_unit_ppm,
bool ignore_missing_precursor_spectra =
false);
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:45
The representation of a 1D spectrum.
Definition: MSSpectrum.h:44
Precursor purity or noise estimation.
Definition: PrecursorPurity.h:34
static std::map< String, PurityScores > computePrecursorPurities(const PeakMap &spectra, double precursor_mass_tolerance, bool precursor_mass_tolerance_unit_ppm, bool ignore_missing_precursor_spectra=false)
compute precursor purity metrics for each MS2 spectrum in a PeakMap This is the main function of this...
static PurityScores computePrecursorPurity(const PeakSpectrum &ms1, const Precursor &pre, const double precursor_mass_tolerance, const bool precursor_mass_tolerance_unit_ppm)
compute precursor purity metrics for one MS2 precursor
static PurityScores combinePrecursorPurities(const PrecursorPurity::PurityScores &score1, const PrecursorPurity::PurityScores &score2)
PeakSpectrum interfering_peaks
Definition: PrecursorPurity.h:45
Definition: PrecursorPurity.h:39
Precursor meta information.
Definition: Precursor.h:35
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:97
Main OpenMS namespace.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19