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Title: A Variation of the F-Test for Determining Statistical Relevance of Particular Parameters in EXAFS Fits

Journal Article · · AIP Conference Proceedings
DOI:https://doi.org/10.1063/1.2644450· OSTI ID:21054572
 [1]; ;  [2];  [1]
  1. Physics Department, University of California, Santa Cruz, California 95060 (United States)
  2. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

A general problem when fitting EXAFS data is determining whether particular parameters are statistically significant. The F-test is an excellent way of determining relevancy in EXAFS because it only relies on the ratio of the fit residual of two possible models, and therefore the data errors approximately cancel. Although this test is widely used in crystallography (there, it is often called a ''Hamilton test'') and has been properly applied to EXAFS data in the past, it is very rarely applied in EXAFS analysis. We have implemented a variation of the F-test adapted for EXAFS data analysis in the RSXAP analysis package, and demonstrate its applicability with a few examples, including determining whether a particular scattering shell is warranted, and differentiating between two possible species or two possible structures in a given shell.

OSTI ID:
21054572
Journal Information:
AIP Conference Proceedings, Vol. 882, Issue 1; Conference: XAFS13: 13. international conference on X-ray absorption fine structure, Stanford, CA (United States), 9-14 Jul 2006; Other Information: DOI: 10.1063/1.2644450; (c) 2007 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
Country of Publication:
United States
Language:
English