mixedVoigt: Compute the spectral signature using Voigt peaks.

In serrsBayes: Bayesian Modelling of Raman Spectroscopy

Compute the spectral signature using Voigt peaks.

Description

Calculates the value of the pseudo-Voigt broadening function at the given wavenumbers, given the parameters of the peaks. This function is thread-safe.

Usage

mixedVoigt(location, scale_G, scale_L, amplitude, wavenum)

Arguments

location	Vector of location parameters of the peaks (cm^{-1})
scale_G	Vector of standard deviations \sigma_j of the Gaussian components.
scale_L	Vector of scale parameters \phi_j of the Lorentzian components.
amplitude	Vector of amplitudes of the peaks (a.u.)
wavenum	Vector of wavenumbers at which to compute the function.

Value

The value of the pseudo-Voigt function at the given wavenumbers.

References

Thompson, Cox & Hastings (1987) "Rietveld refinement of Debye–Scherrer synchrotron X-ray data from Al_2 O_3," J. Appl. Crystallogr. 20(2): 79–83, DOI: \Sexpr[results=rd]{tools:::Rd_expr_doi("10.1107/S0021889887087090")}

Examples

  Cal_V <- seq(300,400,by=5)
  loc <- c(320,350,375)
  scG <- c(10,5,1)
  scL <- c(3,20,7)
  amp <- c(100,500,200)
  mixedVoigt(loc,scG,scL,amp,Cal_V)

serrsBayes documentation built on Oct. 3, 2026, 5:06 p.m.