OpenMS  3.0.0
IMTypes.h
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34 
35 #pragma once
36 
38 
39 namespace OpenMS
40 {
41  class MSExperiment;
42  class MSSpectrum;
43 
45  enum class DriftTimeUnit
46  {
47  NONE,
48  MILLISECOND,
49  VSSC,
52  };
53 
55  OPENMS_DLLAPI extern const std::string NamesOfDriftTimeUnit[(size_t) DriftTimeUnit::SIZE_OF_DRIFTTIMEUNIT];
56 
59  OPENMS_DLLAPI DriftTimeUnit toDriftTimeUnit(const std::string& dtu_string);
60 
63  OPENMS_DLLAPI const std::string& toString(const DriftTimeUnit value);
64 
66  enum class IMFormat
67  {
68  NONE,
69  CONCATENATED,
71  MIXED,
73  };
75  OPENMS_DLLAPI extern const std::string NamesOfIMFormat[(size_t) IMFormat::SIZE_OF_IMFORMAT];
76 
79  OPENMS_DLLAPI IMFormat toIMFormat(const std::string& IM_format);
82  OPENMS_DLLAPI const std::string& toString(const IMFormat value);
83 
84  class OPENMS_DLLAPI IMTypes
85  {
86  public:
88  inline static constexpr double DRIFTTIME_NOT_SET = -1.0;
89 
94  static IMFormat determineIMFormat(const MSExperiment& exp);
95 
104  static IMFormat determineIMFormat(const MSSpectrum& spec);
105  };
106 
107 };
108 
OpenMS::DriftTimeUnit::FAIMS_COMPENSATION_VOLTAGE
compensation voltage
OpenMS::toString
const std::string & toString(const DriftTimeUnit value)
OpenMS::NamesOfIMFormat
const std::string NamesOfIMFormat[(size_t) IMFormat::SIZE_OF_IMFORMAT]
Names of IMFormat.
OpenMS::DriftTimeUnit::NONE
No unit.
OpenMS::MSExperiment
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:70
OpenMS::IMFormat::NONE
no ion mobility
OpenMS::DriftTimeUnit::SIZE_OF_DRIFTTIMEUNIT
OpenMS::toIMFormat
IMFormat toIMFormat(const std::string &IM_format)
OpenMS::DriftTimeUnit
DriftTimeUnit
Drift time unit for ion mobility.
Definition: IMTypes.h:45
OpenMS::toDriftTimeUnit
DriftTimeUnit toDriftTimeUnit(const std::string &dtu_string)
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::DriftTimeUnit::MILLISECOND
milliseconds
OpenMS::IMFormat::MIXED
an MSExperiment contains both CONCATENATED and MULTIPLE_SPECTRA
OpenMS::IMFormat::CONCATENATED
ion mobility frame is stacked in a single spectrum (i.e. has an IM float data array)
OpenMS::IMFormat::MULTIPLE_SPECTRA
ion mobility is recorded as multiple spectra per frame (i.e. has one IM annotation per spectrum)
OpenMS::IMFormat
IMFormat
Different ways to represent ion mobility data in a spectrum.
Definition: IMTypes.h:66
String.h
OpenMS::NamesOfDriftTimeUnit
const std::string NamesOfDriftTimeUnit[(size_t) DriftTimeUnit::SIZE_OF_DRIFTTIMEUNIT]
Names of IM Units. Should be usable as axis annotation.
OpenMS::DriftTimeUnit::VSSC
volt-second per square centimeter (i.e. 1/K_0)
OpenMS::MSSpectrum
The representation of a 1D spectrum.
Definition: MSSpectrum.h:66
OpenMS::IMTypes
Definition: IMTypes.h:84
OpenMS::IMFormat::SIZE_OF_IMFORMAT