OpenMS
MorpheusScore.h
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1 // Copyright (c) 2002-2023, The OpenMS Team -- EKU Tuebingen, ETH Zurich, and FU Berlin
2 // SPDX-License-Identifier: BSD-3-Clause
3 //
4 // --------------------------------------------------------------------------
5 // $Maintainer: Timo Sachsenberg $
6 // $Authors: Timo Sachsenberg $
7 // --------------------------------------------------------------------------
8 
9 #pragma once
10 
11 #include <OpenMS/KERNEL/StandardTypes.h>
12 #include <OpenMS/CONCEPT/Types.h>
13 #include <OpenMS/CONCEPT/Macros.h>
14 
15 namespace OpenMS
16 {
17 
22 struct OPENMS_DLLAPI MorpheusScore
23 {
24 
26  struct OPENMS_DLLAPI Result
27  {
28  Size matches = 0;
29  Size n_peaks = 0;
30  float score = 0;
31  float MIC = 0;
32  float TIC = 0;
33  float err = 0;
34  };
35 
37  static Result compute(double fragment_mass_tolerance,
38  bool fragment_mass_tolerance_unit_ppm,
39  const PeakSpectrum& exp_spectrum,
40  const PeakSpectrum& theo_spectrum);
41 };
42 
43 }
44 
45 
OpenMS::MSSpectrum
The representation of a 1D spectrum.
Definition: MSSpectrum.h:44
OpenMS::TIC
Definition: TIC.h:30
OpenMS::Size
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:101
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:22
OpenMS::MorpheusScore
An implementation of the Morpheus PSM scoring function Inspired by a C# implementation by C....
Definition: MorpheusScore.h:23
OpenMS::MorpheusScore::compute
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...
OpenMS::MorpheusScore::Result
score and subscores
Definition: MorpheusScore.h:27