91 UInt number_of_IM_bins,
92 double bin_extension_abs,
93 double mz_binning_width,
Float data array class.
Definition: DataArrays.h:22
This class converts PeakMaps and MSSpectra from/to different IM/FAIMS storage models.
Definition: IMDataConverter.h:33
static std::tuple< std::vector< MSExperiment >, Math::BinContainer > splitExperimentByIonMobility(MSExperiment &&in, UInt number_of_IM_bins, double bin_extension_abs, double mz_binning_width, MZ_UNITS mz_binning_width_unit)
Bins the ion mobility range into discrete bins and creates a new MSExperiment for each IM bin.
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 reshapeIMFrameToSingle(const MSExperiment &in)
Collapses multiple MS spectra (each with its own drift time) from the same IM-frame into a single MSS...
static MSExperiment reshapeIMFrameToMany(MSSpectrum im_frame)
Split a (TimsTOF) ion mobility frame (i.e. a spectrum concatenated from multiple spectra with differe...
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:46
The representation of a 1D spectrum.
Definition: MSSpectrum.h:44
unsigned int UInt
Unsigned integer type.
Definition: Types.h:64
std::vector< RangeBase > BinContainer
Definition: MathFunctions.h:102
Main OpenMS namespace.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19
MZ_UNITS
Definition: CommonEnums.h:34
DriftTimeUnit
Drift time unit for ion mobility.
Definition: IMTypes.h:23