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

#include <OpenMS/FEATUREFINDER/MultiplexFilteredMSExperiment.h>

Collaboration diagram for MultiplexFilteredMSExperiment:

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Public Member Functions
	MultiplexFilteredMSExperiment ()
	constructor

void	addPeak (const MultiplexFilteredPeak &peak)
	adds a single peak to the results

MultiplexFilteredPeak	getPeak (size_t i) const
	returns a single peak from the results

double	getMZ (size_t i) const
	returns m/z of a single peak

std::vector< double >	getMZ () const
	returns m/z positions of all peaks

double	getRT (size_t i) const
	returns RT of a single peak

std::vector< double >	getRT () const
	returns RT of all peaks

size_t	size () const
	returns number of peaks in the result

void	writeDebugOutput (const MSExperiment &exp_picked, const String &debug_out) const
	write all peaks to a consensusXML file

Private Attributes
std::vector< MultiplexFilteredPeak >	result_
	peaks which passed the peak pattern filter

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()

MultiplexFilteredMSExperiment ( )

constructor

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

[in]	exp_picked	original (i.e. not white) centroided experimental data
[in]	debug_out	file name of the debug output

Member Data Documentation

◆ result_

std::vector<MultiplexFilteredPeak> result_

private

peaks which passed the peak pattern filter

Public Member Functions

Private Attributes