Computer programs for radial distribution analyses of X-ray and electron diffraction data

Abstract

A set of Fortran programs for radial distribution function analyses of X-ray and electron diffraction data of liquid and amorphous samples is available. The programs relate, first, to the formation of a reduced intensity function, F(K) ≡ (I − 〈f2〉)/〈f〉2, where I is the coherent scattered intensity in electron units, K is 4π sin θ/λ, and 〈f〉 is the average of the scattering factors. The experimental radial distribution function G(r) = 4πr[ρ(r)−ρ0], is derived as the Fourier sine integral of F(K).