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Confirmation of standard error analysis techniques applied to EXAFS using simulations

Corwin H Booth1 and Yung-Jin Hu2

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Proper application of error analysis techniques remains uncommon in most EXAFS analyses. Consequently, many researchers in the community remain distrustful of parameter-error estimates. Here, we demonstrate the accuracy of conventional methods through r-space fits to simulated data. Error estimates are determined as a function of r by averaging many scan simulations in r-space. The statistical-χ2 value can then be calculated. Since langleχ2rangle corresponds to the degrees of freedom in a fit, we check Stern's rule for the number of independent data points in an EXAFS spectra. Finally, we apply these simple methods to real data from a Cu foil, highlighting the overwhelming role of systematic errors in theoretical backscattering functions and pointing to the ultimate power of the EXAFS technique if such errors could be removed.


PACS

78.70.Dm X-ray absorption spectra

61.05.cj X-ray absorption spectroscopy: EXAFS, NEXAFS, XANES, etc.

Subjects

Condensed matter: electrical, magnetic and optical

Dates

Issue 1 (2009)



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