Journal of Applied Crystallography

Volume 31, Part 4 (August 1998)


research papers



J. Appl. Cryst. (1998). 31, 609-619    [ doi:10.1107/S0021889898002313 ]

IFO: a Program for Image-Reconstruction-Type Calculation of Atomic Distribution Functions for Disordered Materials

V. Petkov and R. Danev

Abstract: IFO is a newly developed computer program which transforms experimental structure factors for disordered materials to atomic distribution functions by employing an image-reconstruction-type technique. The transformation is carried out through a Monte Carlo search for an atomic distribution function which is a smooth, i.e. free of termination and other spurious ripples, real-space image of a given experimental structure factor. IFO has been tested on a number of data-sets and its efficiency has been demonstrated. The program is considered to be a useful tool for controlling and improving the quality of experimental structure functions for disordered materials.

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