50 #include <boost/serialization/strong_typedef.hpp> 106 int isotopes_per_peptide_max,
double intensity_cutoff,
double rt_band,
double mz_tolerance,
bool mz_tolerance_unit,
107 double peptide_similarity,
double averagine_similarity,
double averagine_similarity_scaling,
String averagine_type=
"peptide");
126 void updateWhiteMSExperiment_();
138 int checkForSignificantPeak_(
double mz,
double mz_tolerance,
MSExperiment::ConstIterator& it_rt,
double intensity_first_peak)
const;
MSExperiment exp_centroided_white_
"white" centroided experimental data
Definition: MultiplexFiltering.h:220
double averagine_similarity_
averagine similarity
Definition: MultiplexFiltering.h:270
A more convenient string class.
Definition: String.h:58
std::vector< SpectrumType >::const_iterator ConstIterator
Non-mutable iterator.
Definition: MSExperiment.h:113
base class for filtering centroided and profile data for peak patterns
Definition: MultiplexFiltering.h:73
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
data structure storing a single peak that passed all filters
Definition: MultiplexFilteredPeak.h:70
std::vector< std::vector< int > > blacklist_
auxiliary structs for blacklisting
Definition: MultiplexFiltering.h:213
double peptide_similarity_
peptide similarity
Definition: MultiplexFiltering.h:265
size_t isotopes_per_peptide_max_
maximum number of isotopic peaks per peptide
Definition: MultiplexFiltering.h:240
double intensity_cutoff_
intensity cutoff
Definition: MultiplexFiltering.h:245
double rt_band_
RT range used for filtering.
Definition: MultiplexFiltering.h:250
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
Base class for all classes that want to report their progress.
Definition: ProgressLogger.h:54
String averagine_type_
type of averagine to use
Definition: MultiplexFiltering.h:281
bool mz_tolerance_unit_in_ppm_
unit for m/z shift tolerance (ppm - true, Da - false)
Definition: MultiplexFiltering.h:260
std::vector< MultiplexIsotopicPeakPattern > patterns_
list of peak patterns
Definition: MultiplexFiltering.h:230
MSExperiment exp_centroided_
centroided experimental data
Definition: MultiplexFiltering.h:208
ContainerType::const_iterator ConstIterator
Non-mutable iterator.
Definition: MSSpectrum.h:104
double averagine_similarity_scaling_
averagine similarity scaling
Definition: MultiplexFiltering.h:275
double mz_tolerance_
m/z shift tolerance
Definition: MultiplexFiltering.h:255
White2Original exp_centroided_mapping_
mapping of peak indices from a 'white' experiment <exp_centroided_white_> to its original experiment ...
Definition: MultiplexFiltering.h:225
std::vector< std::map< int, int > > White2Original
index mapping from a 'white' experiment to its original experiment
Definition: MultiplexFiltering.h:88
data structure for pattern of isotopic peaks
Definition: MultiplexIsotopicPeakPattern.h:54
size_t isotopes_per_peptide_min_
minimum number of isotopic peaks per peptide
Definition: MultiplexFiltering.h:235