fundamental data structure for SplineInterpolatedPeaks
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#include <OpenMS/PROCESSING/MISC/SplinePackage.h>
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
◆ SplinePackage()
SplinePackage |
( |
std::vector< double > |
pos, |
|
|
const std::vector< double > & |
intensity |
|
) |
| |
◆ ~SplinePackage()
◆ 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
◆ pos_max_
◆ pos_min_
position limits of the package in the raw data spectrum
◆ pos_step_width_
◆ spline_
spline object for interpolation of intensity profile