OpenMS
SplinePackage Class Reference

fundamental data structure for SplineInterpolatedPeaks More...

#include <OpenMS/PROCESSING/MISC/SplinePackage.h>

Collaboration diagram for SplinePackage:
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Public Member Functions

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

constructor

◆ ~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