PeakWidthEstimator Class Reference

Rough estimation of the peak width at m/z. More...

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

Public Member Functions
	PeakWidthEstimator (const PeakMap &exp_picked, const std::vector< std::vector< PeakPickerHiRes::PeakBoundary > > &boundaries)
	constructor More...
double	getPeakWidth (double mz)
	returns the estimated peak width at m/z More...
virtual	~PeakWidthEstimator ()
	destructor More...

Private Member Functions
	PeakWidthEstimator ()
	hide default constructor More...

Private Attributes
BSpline2d *	bspline_
	B-spline for peak width interpolation. More...
double	mz_min_
	m/z range of peak width interpolation More...
double	mz_max_

Detailed Description

Rough estimation of the peak width at m/z.

Based on the peaks of the dataset (peak position & width) and the peak boundaries as reported by the PeakPickerHiRes, the typical peak width is estimated for arbitrary m/z using a spline interpolation.

Constructor & Destructor Documentation

PeakWidthEstimator() [1/2]

PeakWidthEstimator	(	const PeakMap &	exp_picked,
		const std::vector< std::vector< PeakPickerHiRes::PeakBoundary > > &	boundaries
	)

constructor

Parameters

exp_picked	m/z positions of picked peaks
boundaries	corresponding peak widths

Exceptions

Exception::UnableToFit

if the B-spline initialisation fails.

~PeakWidthEstimator()

virtual ~PeakWidthEstimator ( )

virtual

destructor

PeakWidthEstimator() [2/2]

PeakWidthEstimator ( )

private

hide default constructor

Member Function Documentation

getPeakWidth()

double getPeakWidth

(

double

mz

)

returns the estimated peak width at m/z

Note

If the mz value is outside the interpolation range, the peak width value of the maximal/minimal value is used.

Exceptions

Exception::InvalidValue

if the peak width estimation returns a negative value.

Member Data Documentation

bspline_

BSpline2d* bspline_

private

B-spline for peak width interpolation.

mz_max_

double mz_max_

private

mz_min_

double mz_min_

private

m/z range of peak width interpolation