Multiple-wavelength anomalous dispersion techniques applied to powder data: a probabilistic method for finding the substructureviajoint probability distribution functions

Abstract

A new joint probability distribution function method is described to find the anomalous scatterer substructure from powder data. The method requires two wavelengths; the conclusive formulas provide estimates of the substructure structure factor moduli, from which the anomalous scatterer positions can be found by Patterson or direct methods. The theory has been preliminarily applied to two compounds, the first having Pt and the second having Fe as anomalous scatterer. Both substructures were correctly identified.