Multiple solutions in data fitting: a trap in EXAFS structural analysis and some ideas to avoid it
- 1 September 1998
- journal article
- Published by International Union of Crystallography (IUCr) in Journal of Synchrotron Radiation
- Vol. 5 (5) , 1317-1320
- https://doi.org/10.1107/s0909049598002970
Abstract
A possible source of error on interatomic distance determination in EXAFS multishell data analysis is described on the basis of fitting a simulated signal for a cluster of Rh atoms with an interaction of O atoms; a fit of an experimental signal is also presented. The origin of this type of mistake is briefly discussed.Keywords
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