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clarification of input-output data
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cbielow committed Mar 12, 2024
1 parent 67cefb9 commit 04c33ca
Showing 1 changed file with 9 additions and 5 deletions.
14 changes: 9 additions & 5 deletions src/openms/include/OpenMS/IONMOBILITY/IMDataConverter.h
Original file line number Diff line number Diff line change
Expand Up @@ -31,13 +31,13 @@ namespace OpenMS
/**
@brief Splits a PeakMap into one PeakMap per FAIMS compensation voltage
This only works with a PeakMap that has a FAIMS compensation voltage
associated with each spectrum.
This only works with a PeakMap that has a FAIMS compensation voltage
(obtained via 'spec.getDriftTime()') associated with each spectrum.
The spectra from the original PeakMap are moved to new PeakMaps,
so the original PeakMap is unusable afterwards.
@param exp The PeakMap
@return Several maps, split by CVs
@return Several maps, one for each CV
@throws Exception::MissingInformation if @p exp is not FAIMS data
*/
static std::vector<PeakMap> splitByFAIMSCV(PeakMap&& exp);
Expand All @@ -48,7 +48,9 @@ namespace OpenMS
The input @p im_frame must have a floatDataArray where IM values are annotated. If not, an exception is thrown.
To get some coarser binning, choose a smaller @p number_of_bins. The default creates a new bin (=spectrum in the output) for each distinct ion mobility value.
To get some coarser binning, choose a smaller @p number_of_bins. The default of `-1` creates a new bin (=spectrum in the output) for each distinct ion mobility value.
For the output spectra, the IM value is annotated once in `spec.getDriftTime()` (using the center of the IM bin). There is no metadata array which contains IM values floatDataArray.
@param im_frame Concatenated spectrum representing a frame
@param number_of_bins In how many bins should the ion mobility frame be sliced? Default(-1) assigns all peaks with identical ion-mobility values to a separate spectrum.
Expand All @@ -62,7 +64,9 @@ namespace OpenMS
@brief Expands all (TimsTOF) ion mobility frames in the PeakMap (i.e. all IM spectra with an IM float data array) into separate spectra. Non-IM spectra are simply copied to the result.
To get some coarser custom binning, choose a smaller @p number_of_bins. The default creates a new bin (=spectrum in the output) for each distinct ion mobility value.
For custom bins, the IM range is divided into equally spaced bins and the bin center is the new drift time.
For custom bins, the IM range is divided into equally spaced bins and the bin center is the new drift time.
For the new output spectra, the IM value is annotated once in `spec.getDriftTime()` (using the center of the IM bin). There is no metadata array which
contains IM values floatDataArray.
@param in The PeakMap containing IM-frame spectra
@param number_of_bins In how many bins should the ion mobility frame be sliced? Default(-1) assigns all peaks with identical ion-mobility values to a separate spectrum.
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