BALL 1.5.0
Classes | Typedefs | Functions

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 >
 

Typedefs

typedef Spectrum< RegularData1D, Peak1DBALL::Spectrum1D
 One-dimensional spectrum. More...
 

Functions

BALL_EXPORT const RegularData1DBALL::operator<< (RegularData1D &data, const PeakList1D &peak_list)
 

Detailed Description

Typedef Documentation

◆ Spectrum1D

One-dimensional spectrum.

Convenience typedefs

Definition at line 319 of file spectrum.h.

Function Documentation

◆ operator<<()

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 $w_i$.