93 const std::vector<MultiplexIsotopicPeakPattern>& patterns,
int isotopes_per_peptide_min,
int isotopes_per_peptide_max,
double intensity_cutoff,
double rt_band,
94 double mz_tolerance,
bool mz_tolerance_unit,
double peptide_similarity,
double averagine_similarity,
double averagine_similarity_scaling,
String averagine_type=
"peptide");
105 std::vector<MultiplexFilteredMSExperiment>
filter();
138 std::vector<std::vector<PeakPickerHiRes::PeakBoundary> >
boundaries_;
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:72
data structure storing a single peak that passed all filters
Definition: MultiplexFilteredPeak.h:70
filters centroided and profile data for peak patterns
Definition: MultiplexFilteringProfile.h:69
std::vector< MultiplexFilteredMSExperiment > filter()
filter for patterns (generates a filter result for each of the patterns)
MultiplexFilteringProfile(MSExperiment &exp_profile, const MSExperiment &exp_centroided, const std::vector< std::vector< PeakPickerHiRes::PeakBoundary > > &boundaries, const std::vector< MultiplexIsotopicPeakPattern > &patterns, int isotopes_per_peptide_min, int isotopes_per_peptide_max, double intensity_cutoff, double rt_band, double mz_tolerance, bool mz_tolerance_unit, double peptide_similarity, double averagine_similarity, double averagine_similarity_scaling, String averagine_type="peptide")
constructor
std::vector< std::vector< PeakPickerHiRes::PeakBoundary > > boundaries_
Definition: MultiplexFilteringProfile.h:138
std::vector< SplineInterpolatedPeaks > exp_spline_profile_
spline interpolated profile data and peak boundaries
Definition: MultiplexFilteringProfile.h:137
std::vector< std::vector< PeakPickerHiRes::PeakBoundary > > & getPeakBoundaries()
returns the intensity-filtered peak boundaries
bool filterPeptideCorrelation_(const MultiplexIsotopicPeakPattern &pattern, const std::multimap< size_t, MultiplexSatelliteProfile > &satellites_profile) const
peptide correlation filter for profile mode
bool filterAveragineModel_(const MultiplexIsotopicPeakPattern &pattern, const MultiplexFilteredPeak &peak, const std::multimap< size_t, MultiplexSatelliteProfile > &satellites_profile) const
averagine filter for profile mode
base class for filtering centroided and profile data for peak patterns
Definition: MultiplexFiltering.h:75
data structure for pattern of isotopic peaks
Definition: MultiplexIsotopicPeakPattern.h:55
A more convenient string class.
Definition: String.h:60
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:48