OpenMS  3.0.0
IonMobilityScoring.h
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34 
35 #pragma once
36 
37 // data access
43 
45 
46 // scoring
48 
49 #include <vector>
50 
51 namespace OpenMS
52 {
53 
65  class OPENMS_DLLAPI IonMobilityScoring
66  {
69 
70  public:
71 
74 
77 
95  static void driftScoring(OpenSwath::SpectrumPtr spectrum,
96  const std::vector<TransitionType> & transitions,
97  OpenSwath_Scores & scores,
98  const double drift_lower,
99  const double drift_upper,
100  const double drift_target,
101  const double dia_extraction_window_,
102  const bool dia_extraction_ppm_,
103  const bool use_spline,
104  const double drift_extra);
105 
123  static void driftScoringMS1(OpenSwath::SpectrumPtr spectrum,
124  const std::vector<TransitionType> & transitions,
125  OpenSwath_Scores & scores,
126  const double drift_lower,
127  const double drift_upper,
128  const double drift_target,
129  const double dia_extract_window_,
130  const bool dia_extraction_ppm_,
131  const bool use_spline,
132  const double drift_extra);
133 
152  static void driftScoringMS1Contrast(OpenSwath::SpectrumPtr spectrum, OpenSwath::SpectrumPtr ms1spectrum,
153  const std::vector<TransitionType> & transitions,
154  OpenSwath_Scores & scores,
155  const double drift_lower,
156  const double drift_upper,
157  const double dia_extract_window_,
158  const bool dia_extraction_ppm_,
159  const double drift_extra);
160  };
161 }
162 
OpenSwathScoring.h
ITransition.h
DIAScoring.h
SwathMap.h
TransitionExperiment.h
ISpectrumAccess.h
DataStructures.h
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenSwath::LightCompound
Definition: TransitionExperiment.h:160
OpenMS::IonMobilityScoring::TransitionType
OpenSwath::LightTransition TransitionType
Definition: IonMobilityScoring.h:68
OpenMS::IonMobilityScoring
A class that calls the ion mobility scoring routines.
Definition: IonMobilityScoring.h:65
OpenMS::IonMobilityScoring::CompoundType
OpenSwath::LightCompound CompoundType
Definition: IonMobilityScoring.h:67
OpenMS::OpenSwath_Scores
A structure to hold the different scores computed by OpenSWATH.
Definition: OpenSwathScores.h:82
OpenSwath::SpectrumPtr
boost::shared_ptr< Spectrum > SpectrumPtr
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/DataStructures.h:296
OpenSwath::LightTransition
Definition: TransitionExperiment.h:45