Deisotoper Class Reference

Static Public Member Functions
template<typename SpectrumType >
static void	deisotopeAndSingleChargeMSSpectrum (SpectrumType &in, double fragment_tolerance, bool fragment_unit_ppm, Int min_charge=1, Int max_charge=3, bool keep_only_deisotoped=false, Size min_isopeaks=3, Size max_isopeaks=10, bool make_single_charged=true, bool annotate_charge=false)

Member Function Documentation

deisotopeAndSingleChargeMSSpectrum()

static void deisotopeAndSingleChargeMSSpectrum ( SpectrumType &  in, double  fragment_tolerance, bool  fragment_unit_ppm, Int  min_charge = 1, Int  max_charge = 3, bool  keep_only_deisotoped = false, Size  min_isopeaks = 3, Size  max_isopeaks = 10, bool  make_single_charged = true, bool  annotate_charge = false  )

inlinestatic

References OpenMS::Constants::C13C12_MASSDIFF_U, MSSpectrum::clear(), MSSpectrum::findNearest(), MSSpectrum::getIntegerDataArrays(), Peak1D::getMZ(), OpenMS::Constants::PROTON_MASS_U, Peak1D::setMZ(), and MSSpectrum::sortByPosition().

Referenced by RNPxlSearch::preprocessSpectra_().