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 |
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Hauptverfasser: | , |
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. |
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ISSN: | 1600-5775 0909-0495 1600-5775 |
DOI: | 10.1107/S0909049598002970 |