OpenMS
FeatureFinderAlgorithmPickedHelperStructs::IsotopePattern Struct Reference

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

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

Collaboration diagram for FeatureFinderAlgorithmPickedHelperStructs::IsotopePattern:
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Public Member Functions

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

Public Attributes

std::vector< SignedSizepeak
 Peak index (-1 if peak was not found, -2 if it was removed to improve the isotope fit) More...
 
std::vector< Sizespectrum
 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.