| OpenMS 2.5.0

Public Member Functions | Private Member Functions | Private Attributes | List of all members
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