An implementation of the Morpheus PSM scoring function Inspired by a C# implementation by C. Wenger released under MIT license. More...

Static Public Member Functions
static Result	compute (double fragment_mass_tolerance, bool fragment_mass_tolerance_unit_ppm, const PeakSpectrum &exp_spectrum, const PeakSpectrum &theo_spectrum)
	returns Morpheus Score, #matched ions, #total ions, #matched intensities, #total fragment intensities (TIC) More...

static Result	compute (double fragment_mass_tolerance, bool fragment_mass_tolerance_unit_ppm, const PeakSpectrum &exp_spectrum, const DataArrays::IntegerDataArray &exp_charges, const PeakSpectrum &theo_spectrum, const DataArrays::IntegerDataArray &theo_charges)
	same as above but matches are only counted if charges match More...

Detailed Description

An implementation of the Morpheus PSM scoring function Inspired by a C# implementation by C. Wenger released under MIT license.

Class Documentation

struct OpenMS::MorpheusScore::Result

score and subscores

Collaboration diagram for MorpheusScore::Result:

Class Members
float	err	average absolute mass error of matched fragments (in Da)
float	err_ppm	average absolute mass error of matched fragments (in ppm)
Size	matches	matched theoretical peaks
float	MIC	ion current of matches (experimental peaks)
Size	n_peaks	number of theoretical peaks
float	score	Morpheus score (matched peaks + matched ion current / TIC)
float	TIC	total ion current (experimental peak)

static Result compute	(	double	fragment_mass_tolerance,
		bool	fragment_mass_tolerance_unit_ppm,
		const PeakSpectrum &	exp_spectrum,
		const DataArrays::IntegerDataArray &	exp_charges,
		const PeakSpectrum &	theo_spectrum,
		const DataArrays::IntegerDataArray &	theo_charges
	)

static

same as above but matches are only counted if charges match

static Result compute	(	double	fragment_mass_tolerance,
		bool	fragment_mass_tolerance_unit_ppm,
		const PeakSpectrum &	exp_spectrum,
		const PeakSpectrum &	theo_spectrum
	)

static

returns Morpheus Score, #matched ions, #total ions, #matched intensities, #total fragment intensities (TIC)