Premium
Multiple‐wavelength anomalous dispersion techniques applied to powder data: a probabilistic method for finding the substructure via joint probability distribution functions
Author(s) -
Altomare Angela,
Belviso Benny Danilo,
Burla Maria Cristina,
Campi Gaetano,
Cuocci Corrado,
Giacovazzo Carmelo,
Gozzo Fabia,
Moliterni Anna,
Polidori Giampiero,
Rizzi Rosanna
Publication year - 2009
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889808039538
Subject(s) - substructure , wavelength , joint probability distribution , probabilistic logic , probability density function , joint (building) , probability distribution , dispersion (optics) , distribution (mathematics) , function (biology) , statistical physics , physics , mathematics , optics , materials science , mathematical analysis , statistics , structural engineering , engineering , evolutionary biology , biology
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.