| OpenMS 2.5.0

Public Member Functions | Public Attributes | List of all members
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.