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

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
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Sprache:eng
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EXAFS data analysis
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container_title Journal of synchrotron radiation
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creator Michalowicz, Alain
Vlaic, Gilberto
description 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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subjects EXAFS data analysis
title Multiple solutions in data fitting: a trap in EXAFS structural analysis and some ideas to avoid it
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