Home  · Classes  · Annotated Classes  · Modules  · Members  · Namespaces  · Related Pages
Classes | Static Public Member Functions | List of all members
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>

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)
 

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.

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

OpenMS / TOPP release 1.11.1 Documentation generated on Thu Nov 14 2013 11:19:34 using doxygen 1.8.5