| OpenMS 2.5.0

Public Member Functions | Private Attributes | List of all members
SplinePackage Class Reference

fundamental data structure for SplineInterpolatedPeaks More...

`#include <OpenMS/FILTERING/DATAREDUCTION/SplinePackage.h>`

## Public Member Functions

| SplinePackage (std::vector< double > pos, std::vector< double > intensity)
| constructor More...
| ~SplinePackage ()
| destructor More...
double | getPosMin () const
| returns the minimum position for which the spline fit is valid More...
double | getPosMax () const
| returns the maximum position for which the spline fit is valid More...
double | getPosStepWidth () const
| returns a sensible position step width for the package More...
bool | isInPackage (double pos) const
| returns true if position in [posMin:posMax] interval else false More...
double | eval (double pos) const
| returns interpolated intensity @ position pos More...

## Private Attributes

double | pos_min_
| position limits of the package in the raw data spectrum More...
double | pos_max_
double | pos_step_width_
| sensible position step width with which to scan through the package More...
CubicSpline2d | spline_
| spline object for interpolation of intensity profile More...

## Detailed Description

fundamental data structure for SplineInterpolatedPeaks

In many cases, data points in MS spectra (or chromatograms) are not equidistant in m/z (or RT) but consist of packages of data points separated by wide m/z (or RT) ranges with zero intensity. SplinePackage contains the spline fit of a single set of such data points.

See also
  SplineInterpolatedPeaks

## Constructor & Destructor Documentation

## ◆ SplinePackage()

SplinePackage | ( | std::vector< double > | pos,
|  | std::vector< double > | intensity
| ) |  |

constructor

## ◆ ~SplinePackage()

~SplinePackage | ( |  | ) |

destructor

## Member Function Documentation

## ◆ eval()

double eval | ( | double | pos | ) | const

returns interpolated intensity @ position pos

## ◆ getPosMax()

double getPosMax | ( |  | ) | const

returns the maximum position for which the spline fit is valid

## ◆ getPosMin()

double getPosMin | ( |  | ) | const

returns the minimum position for which the spline fit is valid

## ◆ getPosStepWidth()

double getPosStepWidth | ( |  | ) | const

returns a sensible position step width for the package

## ◆ isInPackage()

bool isInPackage | ( | double | pos | ) | const

returns true if position in [posMin:posMax] interval else false

## Member Data Documentation

## ◆ pos_max_

double pos_max_

private

## ◆ pos_min_

double pos_min_

private

position limits of the package in the raw data spectrum

## ◆ pos_step_width_

double pos_step_width_

private

sensible position step width with which to scan through the package

Note
  The step width is rescaled individually in each navigator.

See also
  SplineInterpolatedPeaks::Navigator::getNextPos()

## ◆ spline_

CubicSpline2d spline_

private

spline object for interpolation of intensity profile