Multiple solutions in data fitting: a trap in EXAFS structural analysis and some ideas to avoid it

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 i...

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Veröffentlicht in:Journal of synchrotron radiation 1998-09, Vol.5 (5), p.1317-1320
Hauptverfasser: Michalowicz, Alain, Vlaic, Gilberto
Format: Artikel
Sprache:eng
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Zusammenfassung: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.
ISSN:1600-5775
0909-0495
1600-5775
DOI:10.1107/S0909049598002970