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< DoubleReal > | intensity |
Peak intensity (0 if peak index is -1 or -2) More... | |
std::vector< DoubleReal > | mz_score |
m/z score of peak (0 if peak index is -1 or -2) More... | |
std::vector< DoubleReal > | theoretical_mz |
Theoretical m/z value of the isotope peak. More... | |
TheoreticalIsotopePattern | theoretical_pattern |
Theoretical isotope pattern. More... | |
Helper structure for a found isotope pattern used in FeatureFinderAlgorithmPicked.
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inline |
Constructor that resizes the internal vectors.
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 |
OpenMS / TOPP release 1.11.1 | Documentation generated on Thu Nov 14 2013 11:19:34 using doxygen 1.8.5 |