SplinePackage Class Reference

fundamental data structure for SplineInterpolatedPeaks More...

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

Collaboration diagram for SplinePackage:

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