OpenMS
MultiplexFilteredMSExperiment Class Reference

data structure storing all peaks (and optionally their raw data points) of an experiment corresponding to one specific peak pattern More...

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

Collaboration diagram for MultiplexFilteredMSExperiment:
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Public Member Functions

 MultiplexFilteredMSExperiment ()
 constructor More...
 
void addPeak (const MultiplexFilteredPeak &peak)
 adds a single peak to the results More...
 
MultiplexFilteredPeak getPeak (size_t i) const
 returns a single peak from the results More...
 
double getMZ (size_t i) const
 returns m/z of a single peak More...
 
std::vector< double > getMZ () const
 returns m/z positions of all peaks More...
 
double getRT (size_t i) const
 returns RT of a single peak More...
 
std::vector< double > getRT () const
 returns RT of all peaks More...
 
size_t size () const
 returns number of peaks in the result More...
 
void writeDebugOutput (const MSExperiment &exp_picked, const String &debug_out) const
 write all peaks to a consensusXML file More...
 

Private Attributes

std::vector< MultiplexFilteredPeakresult_
 peaks which passed the peak pattern filter More...
 

Detailed Description

data structure storing all peaks (and optionally their raw data points) of an experiment corresponding to one specific peak pattern

See also
MultiplexPeakPattern

Constructor & Destructor Documentation

◆ MultiplexFilteredMSExperiment()

Member Function Documentation

◆ addPeak()

void addPeak ( const MultiplexFilteredPeak peak)

adds a single peak to the results

◆ getMZ() [1/2]

std::vector<double> getMZ ( ) const

returns m/z positions of all peaks

◆ getMZ() [2/2]

double getMZ ( size_t  i) const

returns m/z of a single peak

◆ getPeak()

MultiplexFilteredPeak getPeak ( size_t  i) const

returns a single peak from the results

◆ getRT() [1/2]

std::vector<double> getRT ( ) const

returns RT of all peaks

◆ getRT() [2/2]

double getRT ( size_t  i) const

returns RT of a single peak

◆ size()

size_t size ( ) const

returns number of peaks in the result

◆ writeDebugOutput()

void writeDebugOutput ( const MSExperiment exp_picked,
const String debug_out 
) const

write all peaks to a consensusXML file

Parameters
exp_pickedoriginal (i.e. not white) centroided experimental data
debug_outfile name of the debug output

Member Data Documentation

◆ result_

std::vector<MultiplexFilteredPeak> result_
private

peaks which passed the peak pattern filter