• DOI:10.1107/S0021889800010219
• Corpus ID: 55372305

Extended pseudo-Voigt function for approximating the Voigt profile

@article{Ida2000ExtendedPF,
  title={Extended pseudo-Voigt function for approximating the Voigt profile},
  author={Takashi Ida and Masaya Ando and Hideo Toraya},
  journal={Journal of Applied Crystallography},
  year={2000},
  volume={33},
  pages={1311-1316}
}

• T. Ida, M. Ando, H. Toraya
• Published 1 December 2000
• Mathematics
• Journal of Applied Crystallography

The formula of the pseudo-Voigt function expressed by a weighted sum of Gaussian and Lorentzian functions is extended by adding two other types of peak functions in order to improve the accuracy when approximating the Voigt profile. The full width at half-maximum (FWHM) values and mixing parameters of the Gaussian, the Lorentzian and the other two component functions in the extended formula can be approximated by polynomials of a parameter ρ = ΓL/(ΓG + ΓL), where ΓG and ΓL are the FWHM values of the deconvoluted Gaussian and Lorentzian functions, respectively. The maximum deviation of the extended pseudo-Voigt function from the Voigt profile is within 0.12% relative to the peak height when sixth-order polynomial expansions are used. The systematic errors of the integrated intensity ΓG and ΓL, estimated by fitting the extended formula to Voigt profiles, are typically less than 1/10 of the errors arising from the application of the original formula of the pseudo-Voigt approximation proposed by Thompson et al. [J. Appl. Cryst. (1987), 20, 79–83], while the time required for computation of the extended formula is only about 2.5 relative to the computation time required for the original formula.