FeatureFinderAlgorithmPickedHelperStructs::IsotopePattern Struct Reference

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

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

Public Member Functions
	IsotopePattern (Size size)
	Constructor that resizes the internal vectors. More...

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

Detailed Description

Helper structure for a found isotope pattern used in FeatureFinderAlgorithmPicked.

Constructor & Destructor Documentation

IsotopePattern()

IsotopePattern ( Size  size )

explicit

Constructor that resizes the internal vectors.

Member Data Documentation

intensity

std::vector<double> intensity

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

mz_score

std::vector<double> mz_score

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

peak

std::vector<SignedSize> peak

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

spectrum

std::vector<Size> spectrum

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

theoretical_mz

std::vector<double> theoretical_mz

Theoretical m/z value of the isotope peak.

theoretical_pattern

TheoreticalIsotopePattern theoretical_pattern

Theoretical isotope pattern.