FeatureFinderAlgorithmPickedHelperStructs::IsotopePattern Struct Reference

Helper structure for a found isotope pattern used in FeatureFinderAlgorithmPicked. More...

#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/FeatureFinderAlgorithmPickedHelperStructs.h>

List of all members.

Public Member Functions
	IsotopePattern (Size size)
	Constructor that resizes the internal vectors.
Public Attributes
std::vector< SignedSize >	peak
	Peak index (-1 if peak was not found, -2 if it was removed to improve the isotope fit).
std::vector< Size >	spectrum
	Spectrum index (undefined if peak index is -1 or -2).
std::vector< DoubleReal >	intensity
	Peak intensity (0 if peak index is -1 or -2).
std::vector< DoubleReal >	mz_score
	m/z score of peak (0 if peak index is -1 or -2)
std::vector< DoubleReal >	theoretical_mz
	Theoretical m/z value of the isotope peak.
TheoreticalIsotopePattern	theoretical_pattern
	Theoretical isotope pattern.

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Detailed Description

Helper structure for a found isotope pattern used in FeatureFinderAlgorithmPicked.

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Constructor & Destructor Documentation

IsotopePattern

(

Size

size

)

[inline]

Constructor that resizes the internal vectors.

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Member Data Documentation

std::vector<DoubleReal> intensity

Peak intensity (0 if peak index is -1 or -2).

Referenced by FeatureFinderAlgorithmPicked< PeakType, FeatureType >::findIsotope_(), and FeatureFinderAlgorithmPicked< PeakType, FeatureType >::isotopeScore_().

std::vector<DoubleReal> mz_score

m/z score of peak (0 if peak index is -1 or -2)

Referenced by FeatureFinderAlgorithmPicked< PeakType, FeatureType >::findIsotope_(), and FeatureFinderAlgorithmPicked< PeakType, FeatureType >::isotopeScore_().

std::vector<SignedSize> peak

Peak index (-1 if peak was not found, -2 if it was removed to improve the isotope fit).

Referenced by FeatureFinderAlgorithmPicked< PeakType, FeatureType >::extendMassTraces_(), FeatureFinderAlgorithmPicked< PeakType, FeatureType >::findIsotope_(), FeatureFinderAlgorithmPicked< PeakType, FeatureType >::isotopeScore_(), and FeatureFinderAlgorithmPicked< PeakType, FeatureType >::run().

std::vector<Size> spectrum

Spectrum index (undefined if peak index is -1 or -2).

Referenced by FeatureFinderAlgorithmPicked< PeakType, FeatureType >::extendMassTraces_(), and FeatureFinderAlgorithmPicked< PeakType, FeatureType >::findIsotope_().

std::vector<DoubleReal> theoretical_mz

Theoretical m/z value of the isotope peak.

Referenced by FeatureFinderAlgorithmPicked< PeakType, FeatureType >::findIsotope_().

TheoreticalIsotopePattern theoretical_pattern

Theoretical isotope pattern.

Referenced by FeatureFinderAlgorithmPicked< PeakType, FeatureType >::extendMassTraces_(), FeatureFinderAlgorithmPicked< PeakType, FeatureType >::findBestIsotopeFit_(), and FeatureFinderAlgorithmPicked< PeakType, FeatureType >::run().