| OpenMS 2.5.0

Public Member Functions | Public Attributes | List of all members
FeatureFinderAlgorithmPickedHelperStructs::MassTrace Struct Reference

Helper struct for mass traces used in FeatureFinderAlgorithmPicked. More...

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

## Public Member Functions

ConvexHull2D | getConvexhull () const
| determines the convex hull of the trace More...
void | updateMaximum ()
| Sets the maximum to the highest contained peak of the trace. More...
double | getAvgMZ () const
| Returns the average m/z of all peaks in this trace (weighted by intensity) More...
bool | isValid () const
| Checks if this Trace is valid (has more than 2 points) More...

## Public Attributes

const Peak1D * | max_peak
| Maximum peak pointer. More...
double | max_rt
| RT of maximum peak. More...
double | theoretical_int
| Theoretical intensity value (scaled to [0,1]) More...
std::vector< std::pair< double, const Peak1D * > > | peaks
| Contained peaks (pair of RT and pointer to peak) More...

## Detailed Description

Helper struct for mass traces used in FeatureFinderAlgorithmPicked.

## Member Function Documentation

## ◆ getAvgMZ()

double getAvgMZ | ( |  | ) | const

Returns the average m/z of all peaks in this trace (weighted by intensity)

## ◆ getConvexhull()

ConvexHull2D getConvexhull | ( |  | ) | const

determines the convex hull of the trace

## ◆ isValid()

bool isValid | ( |  | ) | const

Checks if this Trace is valid (has more than 2 points)

## ◆ updateMaximum()

void updateMaximum | ( |  | ) |

Sets the maximum to the highest contained peak of the trace.

## Member Data Documentation

## ◆ max_peak

const Peak1D* max_peak

Maximum peak pointer.

## ◆ max_rt

double max_rt

RT of maximum peak.

## ◆ peaks

std::vector<std::pair<double, const Peak1D*> > peaks

Contained peaks (pair of RT and pointer to peak)

## ◆ theoretical_int

double theoretical_int

Theoretical intensity value (scaled to [0,1])