OpenMS  3.0.0
MorpheusScore.h
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31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Timo Sachsenberg $
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34 
35 #pragma once
36 
38 #include <OpenMS/CONCEPT/Types.h>
39 #include <OpenMS/CONCEPT/Macros.h>
40 
41 namespace OpenMS
42 {
43 
48 struct OPENMS_DLLAPI MorpheusScore
49 {
50 
52  struct OPENMS_DLLAPI Result
53  {
54  Size matches = 0;
55  Size n_peaks = 0;
56  float score = 0;
57  float MIC = 0;
58  float TIC = 0;
59  float err = 0;
60  };
61 
63  static Result compute(double fragment_mass_tolerance,
64  bool fragment_mass_tolerance_unit_ppm,
65  const PeakSpectrum& exp_spectrum,
66  const PeakSpectrum& theo_spectrum);
67 };
68 
69 }
70 
71 
Types.h
OpenMS::Size
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
Macros.h
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::TIC
Definition: TIC.h:55
OpenMS::MorpheusScore
An implementation of the Morpheus PSM scoring function Inspired by a C# implementation by C....
Definition: MorpheusScore.h:48
OpenMS::MorpheusScore::Result
score and subscores
Definition: MorpheusScore.h:52
OpenMS::MSSpectrum
The representation of a 1D spectrum.
Definition: MSSpectrum.h:66
StandardTypes.h