51 static PeakMap preprocessSpectra(
PeakMap& exp,
double fragment_mass_tolerance,
bool fragment_mass_tolerance_unit_ppm,
Size peptide_min_size,
Int min_precursor_charge,
Int max_precursor_charge,
bool deisotope,
bool labeled);
66 std::vector<std::pair<Size, Size> > & alignment,
double fragment_mass_tolerance,
67 bool fragment_mass_tolerance_unit_ppm,
73 double intensity_cutoff = 0.0);
85 std::vector<std::pair<Size, Size> > & alignment,
86 double fragment_mass_tolerance,
87 bool fragment_mass_tolerance_unit_ppm,
88 const std::vector< SimpleTSGXLMS::SimplePeak >& theo_spectrum,
Float data array class.
Definition: DataArrays.h:22
Integer data array class.
Definition: DataArrays.h:30
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:45
The representation of a 1D spectrum.
Definition: MSSpectrum.h:44
Definition: OPXLSpectrumProcessingAlgorithms.h:22
static PeakMap preprocessSpectra(PeakMap &exp, double fragment_mass_tolerance, bool fragment_mass_tolerance_unit_ppm, Size peptide_min_size, Int min_precursor_charge, Int max_precursor_charge, bool deisotope, bool labeled)
Preprocesses spectra.
static PeakSpectrum mergeAnnotatedSpectra(PeakSpectrum &first_spectrum, PeakSpectrum &second_spectrum)
Merges two spectra into one while correctly considering metainfo in DataArrays.
static void getSpectrumAlignmentFastCharge(std::vector< std::pair< Size, Size > > &alignment, double fragment_mass_tolerance, bool fragment_mass_tolerance_unit_ppm, const PeakSpectrum &theo_spectrum, const PeakSpectrum &exp_spectrum, const DataArrays::IntegerDataArray &theo_charges, const DataArrays::IntegerDataArray &exp_charges, DataArrays::FloatDataArray &ppm_error_array, double intensity_cutoff=0.0)
Computes a spectrum alignment while considering fragment charges stored in a IntegerDataArray and a c...
static void getSpectrumAlignmentSimple(std::vector< std::pair< Size, Size > > &alignment, double fragment_mass_tolerance, bool fragment_mass_tolerance_unit_ppm, const std::vector< SimpleTSGXLMS::SimplePeak > &theo_spectrum, const PeakSpectrum &exp_spectrum, const DataArrays::IntegerDataArray &exp_charges)
Computes a spectrum alignment while considering fragment charges. Uses TSGXLMS::SimplePeak for the th...
int Int
Signed integer type.
Definition: Types.h:72
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