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

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...

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Veröffentlicht in:Journal of applied crystallography 1976-06, Vol.9 (3), p.253-254
Hauptverfasser: Renninger, A. L., Kaplow, R.
Format: Artikel
Sprache:eng
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Zusammenfassung: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).
ISSN:1600-5767
0021-8898
1600-5767
DOI:10.1107/S0021889876011163