fundamental data structure for SplineSpectrum More...
#include <OpenMS/FILTERING/DATAREDUCTION/SplinePackage.h>
Public Member Functions | |
SplinePackage (std::vector< double > mz, std::vector< double > intensity, double scaling) | |
constructor More... | |
~SplinePackage () | |
destructor More... | |
double | getMzMin () const |
returns the minimum m/z for which the spline fit is valid More... | |
double | getMzMax () const |
returns the maximum m/z for which the spline fit is valid More... | |
double | getMzStepWidth () const |
returns a sensible m/z step width for the package More... | |
bool | isInPackage (double mz) const |
returns true if m/z in [mzMin:mzMax] interval else false More... | |
double | eval (double mz) const |
returns interpolated intensity @ position mz More... | |
Private Attributes | |
double | mz_min_ |
m/z limits of the package in the raw data spectrum More... | |
double | mz_max_ |
double | mz_step_width_ |
sensible m/z step width with which to scan through the package (raw data spacing times a scaling factor typically <1) More... | |
CubicSpline2d | spline_ |
spline object for interpolation of intensity profile More... | |
fundamental data structure for SplineSpectrum
In many cases, data points in MS spectra are not equidistant in m/z but consist of packages of data points separated by wide m/z ranges with zero intensity. SplinePackage contains the spline fit of a single set of such data points.
SplinePackage | ( | std::vector< double > | mz, |
std::vector< double > | intensity, | ||
double | scaling | ||
) |
constructor
~SplinePackage | ( | ) |
destructor
double getMzMax | ( | ) | const |
returns the maximum m/z for which the spline fit is valid
double getMzMin | ( | ) | const |
returns the minimum m/z for which the spline fit is valid
double getMzStepWidth | ( | ) | const |
returns a sensible m/z step width for the package
bool isInPackage | ( | double | mz | ) | const |
returns true if m/z in [mzMin:mzMax] interval else false
|
private |
|
private |
m/z limits of the package in the raw data spectrum
|
private |
sensible m/z step width with which to scan through the package (raw data spacing times a scaling factor typically <1)
|
private |
spline object for interpolation of intensity profile
OpenMS / TOPP release 2.3.0 | Documentation generated on Tue Jan 9 2018 18:22:13 using doxygen 1.8.13 |