SpectralDeconvolution.h File Reference

#include <OpenMS/ANALYSIS/TOPDOWN/DeconvolvedSpectrum.h>
#include <OpenMS/ANALYSIS/TOPDOWN/FLASHHelperClasses.h>
#include <OpenMS/ANALYSIS/TOPDOWN/PeakGroup.h>
#include <OpenMS/DATASTRUCTURES/DefaultParamHandler.h>
#include <OpenMS/DATASTRUCTURES/Matrix.h>
#include <OpenMS/KERNEL/MSExperiment.h>
#include <OpenMS/KERNEL/MSSpectrum.h>
#include <memory>
#include <optional>
#include <utility>
#include <iostream>

Go to the source code of this file.

Classes
class	SpectralDeconvolution
	FLASHDeconv algorithm: ultrafast mass deconvolution algorithm for top down mass spectrometry dataset From MSSpectrum, this class outputs DeconvolvedSpectrum. Deconvolution takes three steps: i) decharging and select candidate masses - speed up via binning ii) collecting isotopes from the candidate masses and deisotope - peak groups are defined here iii) scoring and filter out low scoring masses (i.e., peak groups) More...
struct	SpectralDeconvolution::CandidateSelectionContext
	Read-only construction settings; spectrum peaks and candidate bins remain private. More...
struct	SpectralDeconvolution::Bitsets
	Value-semantic holder for the implementation's bitsets. More...

Namespaces
namespace	OpenMS
	Main OpenMS namespace.

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Class Documentation

OpenMS::SpectralDeconvolution::CandidateSelectionContext

struct OpenMS::SpectralDeconvolution::CandidateSelectionContext

Read-only construction settings; spectrum peaks and candidate bins remain private.

Class Members
const PrecalculatedAveragine &	averagine	Configured averagine.
double	isotope_distance	Isotope spacing in Da.
int	max_charge	Current maximum charge magnitude.
double	max_mass	Current maximum neutral mass.
int	min_charge	Minimum charge magnitude.
bool	positive	Ionization mode.
double	tolerance	Relative m/z tolerance.