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:

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< MultiplexFilteredPeak >	result_
	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()

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

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

Member Data Documentation

result_

std::vector<MultiplexFilteredPeak> result_

private

peaks which passed the peak pattern filter