OpenMS
IMDataConverter.h
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31 // $Maintainer: Eugen Netz $
32 // $Authors: Eugen Netz, Chris Bielow $
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34 
35 #pragma once
36 
37 #include <OpenMS/CONCEPT/Types.h>
39 #include <vector>
40 
41 namespace OpenMS
42 {
43  // forward declarations
44  namespace DataArrays
45  {
46  class FloatDataArray;
47  }
48  enum class DriftTimeUnit;
49 
54  class OPENMS_DLLAPI IMDataConverter
55  {
56  public:
69  static std::vector<PeakMap> splitByFAIMSCV(PeakMap&& exp);
70 
71 
85  static MSExperiment splitByIonMobility(MSSpectrum im_frame, UInt number_of_bins = -1);
86 
97  static MSExperiment splitByIonMobility(MSExperiment&& in, UInt number_of_bins = -1);
98 
117 
137  static void setIMUnit(DataArrays::FloatDataArray& fda, const DriftTimeUnit unit);
138 
158  static bool getIMUnit(const DataArrays::FloatDataArray& fda, DriftTimeUnit& unit);
159  };
160 
161 } //end namespace OpenMS
Float data array class.
Definition: DataArrays.h:48
This class converts PeakMaps and MSSpectra from/to different IM/FAIMS storage models.
Definition: IMDataConverter.h:55
static MSExperiment splitByIonMobility(MSSpectrum im_frame, UInt number_of_bins=-1)
Split a (TimsTOF) ion mobility frame (i.e. a spectrum concatenated from multiple spectra with differe...
static MSExperiment collapseFramesToSingle(const MSExperiment &in)
Collapses multiple MS spectra (each with its own drift time) from the same IM-frame into a single MSS...
static void setIMUnit(DataArrays::FloatDataArray &fda, const DriftTimeUnit unit)
Convert from a Unit to a CV term and annotate is as the FDA's name. This is not very accurate (since ...
static MSExperiment splitByIonMobility(MSExperiment &&in, UInt number_of_bins=-1)
Expands all (TimsTOF) ion mobility frames in the PeakMap (i.e. all IM spectra with an IM float data a...
static std::vector< PeakMap > splitByFAIMSCV(PeakMap &&exp)
Splits a PeakMap into one PeakMap per FAIMS compensation voltage.
static bool getIMUnit(const DataArrays::FloatDataArray &fda, DriftTimeUnit &unit)
Checks if the fda is an ion-mobility array and if so, returns the unit (either MILLISECOND or VSSC,...
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:72
The representation of a 1D spectrum.
Definition: MSSpectrum.h:70
unsigned int UInt
Unsigned integer type.
Definition: Types.h:94
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:48
DriftTimeUnit
Drift time unit for ion mobility.
Definition: IMTypes.h:49