Classes
class	BALL::CreateSpectrumProcessor

class	BALL::Experiment< PeakListType >

class	BALL::SimpleExperiment1D

class	BALL::Peak< PositionType >

class	BALL::PeakList< PT >

class	BALL::Spectrum< DataT, PeakT, PositionT >

Functions
BALL_EXPORT const RegularData1D &	BALL::operator<< (RegularData1D &data, const PeakList1D &peak_list)

typedef Spectrum < RegularData1D, Peak1D >	BALL::Spectrum1D
	One-dimensional spectrum. More...

typedef Spectrum < RegularData2D, Peak2D >	BALL::Spectrum2D
	Two-dimensional spectrum. More...

typedef Spectrum < RegularData3D, Peak3D >	BALL::Spectrum3D
	Three-dimensional spectrum. More...

Detailed Description

Typedef Documentation

typedef Spectrum<RegularData1D, Peak1D> BALL::Spectrum1D

One-dimensional spectrum.

Convenience typedefs

Definition at line 319 of file spectrum.h.

typedef Spectrum<RegularData2D, Peak2D> BALL::Spectrum2D

Two-dimensional spectrum.

Definition at line 322 of file spectrum.h.

typedef Spectrum<RegularData3D, Peak3D> BALL::Spectrum3D

Three-dimensional spectrum.

Definition at line 325 of file spectrum.h.

Function Documentation

BALL_EXPORT const RegularData1D& BALL::operator<<	(	RegularData1D &	data,
		const PeakList1D &	peak_list
	)

Create a simulated spectrum from a peak list. Using this operator, a peak list is converted to a gridded representation of the spectrum. The spectrum synthesis is based upon the assumption of a Lorentzian line shape. Peak width, position, and height are taken from each individual peak of the peak list. Each point in the RegularData1D array is assigned the sum of all Lorentzians centered at the peak positions:

$S(\delta) = \sum_{i} \frac{h_i}{w_i (\delta_i-\delta)^2}$

where $\delta$ is the shift coordinate and each peak is defined by its position $\delta_i$ , intensity $h_i$ , and width $w_i$ .

Classes

Functions

Detailed Description

Typedef Documentation

Function Documentation