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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< 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< DoubleRealintensity
 Peak intensity (0 if peak index is -1 or -2) More...
 
std::vector< DoubleRealmz_score
 m/z score of peak (0 if peak index is -1 or -2) More...
 
std::vector< DoubleRealtheoretical_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 ( Size  size)
inline

Constructor that resizes the internal vectors.

Member Data Documentation

std::vector<DoubleReal> intensity
std::vector<DoubleReal> mz_score
std::vector<SignedSize> peak
std::vector<Size> spectrum
std::vector<DoubleReal> theoretical_mz

Theoretical m/z value of the isotope peak.

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

TheoreticalIsotopePattern theoretical_pattern

OpenMS / TOPP release 1.11.1 Documentation generated on Thu Nov 14 2013 11:19:34 using doxygen 1.8.5