MultiplexFilterResultPeak Class Reference

data structure storing a single peak that passed all filters More...

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

Public Member Functions
	MultiplexFilterResultPeak (double mz, double rt, std::vector< double > mz_shifts, std::vector< double > intensities, std::vector< MultiplexFilterResultRaw > rawDataPoints)
	constructor More...
double	getMZ () const
	returns m/z of the peak More...
double	getRT () const
	returns RT of the peak More...
std::vector< double >	getMZShifts () const
	returns m/z shifts More...
std::vector< double >	getIntensities () const
	returns intensities More...
int	size () const
	returns the number of raw data points belonging to the peak More...
MultiplexFilterResultRaw	getFilterResultRaw (int i) const
	returns a single raw data point belonging to the peak More...

Private Attributes
double	mz_
	position of the peak More...
double	rt_
std::vector< double >	mz_shifts_
	m/z shifts at which peaks corresponding to a pattern were found More...
std::vector< double >	intensities_
	peak intensities at mz_ + mz_shifts_ More...
std::vector< MultiplexFilterResultRaw >	raw_data_points_
	(optional) raw data points corresponding to the peak More...

Detailed Description

data structure storing a single peak that passed all filters

Each peak filter result corresponds to a successful search for a particular peak pattern in the centroided data. The actual m/z shifts seen in the filter result might differ from the theoretical shifts listed in the peak pattern.

See also

MultiplexPeakPattern

Constructor & Destructor Documentation

MultiplexFilterResultPeak()

MultiplexFilterResultPeak	(	double	mz,
		double	rt,
		std::vector< double >	mz_shifts,
		std::vector< double >	intensities,
		std::vector< MultiplexFilterResultRaw >	rawDataPoints
	)

constructor

Member Function Documentation

getFilterResultRaw()

MultiplexFilterResultRaw getFilterResultRaw

(

int

i

)

const

returns a single raw data point belonging to the peak

getIntensities()

std::vector<double> getIntensities

(

)

const

returns intensities

getMZ()

double getMZ

(

)

const

returns m/z of the peak

getMZShifts()

std::vector<double> getMZShifts

(

)

const

returns m/z shifts

getRT()

double getRT

(

)

const

returns RT of the peak

size()

int size

(

)

const

returns the number of raw data points belonging to the peak

Member Data Documentation

intensities_

std::vector<double> intensities_

private

peak intensities at mz_ + mz_shifts_

mz_

double mz_

private

position of the peak

mz_shifts_

std::vector<double> mz_shifts_

private

m/z shifts at which peaks corresponding to a pattern were found

raw_data_points_

std::vector<MultiplexFilterResultRaw> raw_data_points_

private

(optional) raw data points corresponding to the peak

rt_

double rt_

private