35 #ifndef OPENMS_ANALYSIS_XLMS_OPXLSPECTRUMPROCESSINGALGORITHMS_H 36 #define OPENMS_ANALYSIS_XLMS_OPXLSPECTRUMPROCESSINGALGORITHMS_H 75 static PeakMap preprocessSpectra(
PeakMap& exp,
double fragment_mass_tolerance_xlinks,
bool fragment_mass_tolerance_unit_ppm,
Size peptide_min_size,
Int min_precursor_charge,
Int max_precursor_charge,
bool labeled);
86 static void getSpectrumAlignment(std::vector <std::pair <Size, Size> >& alignment,
const PeakSpectrum & s1,
const PeakSpectrum & s2,
double tolerance,
bool relative_tolerance,
double intensity_cutoff = 0.0);
105 static PeakSpectrum deisotopeAndSingleChargeMSSpectrum(
PeakSpectrum& old_spectrum,
Int min_charge,
Int max_charge,
double fragment_tolerance,
bool fragment_tolerance_unit_ppm,
bool keep_only_deisotoped =
false,
Size min_isopeaks = 3,
Size max_isopeaks = 10,
bool make_single_charged =
false);
111 #endif // OPXLSPECTRUMPROCESSINGALGORITHMS_H
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
The representation of a 1D spectrum.
Definition: MSSpectrum.h:67
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:82
Definition: OPXLSpectrumProcessingAlgorithms.h:46
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:128
int Int
Signed integer type.
Definition: Types.h:103