PeakWidthEstimator Class Reference

This class implements a peak width estimation algorithm best suited for high resolution MS data (FT-ICR-MS, Orbitrap). Peaks are detected and a spline is fitted to the raw data in a window around the peak. Then a search for to the half-maximum is performed on the spline to the left and right of the peak maximum. The Full Width at the Half Maximum is collected. Finally a linear regression is performed to determine FWHM(m/z). More...

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

List of all members.

Classes
class	Result
Static Public Member Functions
static void	estimateSpectrumFWHM (const MSSpectrum< Peak1D > &input, std::set< boost::tuple< DoubleReal, DoubleReal, DoubleReal > > &fwhms)
static Result	estimateFWHM (const MSExperiment< Peak1D > &input)

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Detailed Description

This class implements a peak width estimation algorithm best suited for high resolution MS data (FT-ICR-MS, Orbitrap). Peaks are detected and a spline is fitted to the raw data in a window around the peak. Then a search for to the half-maximum is performed on the spline to the left and right of the peak maximum. The Full Width at the Half Maximum is collected. Finally a linear regression is performed to determine FWHM(m/z).

Note:

The peaks must be sorted according to ascending m/z!

Experimental classes:

This algorithm has not been tested thoroughly yet.

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Member Function Documentation

static Result estimateFWHM

(

const MSExperiment< Peak1D > &

input

)

[static]

static void estimateSpectrumFWHM	(	const MSSpectrum< Peak1D > &	input,
		std::set< boost::tuple< DoubleReal, DoubleReal, DoubleReal > > &	fwhms
	)			[static]