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Error Analysis
Information Content
Multiple Scattering
Reliability Analysis
Satisfiability
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The UWXAFS analysis package: philosophy and details
The UWXAFS analysis package: philosophy and details,10.1016/0921-4526(94)00826-H,Physica B-condensed Matter,E. A. Stern,M. Newville,B. Ravel,Y. Yacoby
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The UWXAFS analysis package: philosophy and details
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Citations: 112
)
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E. A. Stern
,
M. Newville
,
B. Ravel
,
Y. Yacoby
,
D. Haskel
The requirements for a reliable analysis program for XAFS spectra to obtain structural information are listed. Besides the more generally recognized items, it is emphasized that criteria to assess whether the model found is reasonable, and a fast and reliable
error analysis
which assures that the
information content
of the data is not exceeded, should be included. The University of Washington analysis program UWXAFS is described which satisfies the listed requirements and includes
multiple scattering
(MS) contributions in an efficient manner utilizing the FEFF program, and fits in R-space to allow limiting the MS paths.
Journal:
Physica B-condensed Matter - PHYSICA B
, vol. 208, pp. 117-120, 1995
DOI:
10.1016/0921-4526(94)00826-H
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Citation Context
(20)
...0 simulation programmes
14
,
15
...
Huan-Hsung Hsu
,
et al.
Detection of ethanol vapours with Al-incorporated ZnO thin films
...(
Stern et al., 1995
) decreased, suggesting that the fit model effectively improved...
...As–Al ± 0.019–0.033 A ˚ . c Debye–Waller parameter, uncertainty for As–O ± 0.0005–0.0006 A ˚ 2, for As–Fe ± 0.0026–0.0031 A ˚ 2, for As–Al ± 0.0022–0.0039 A ˚ 2. d Energy shift constrained to same value for all paths in fit, uncertainty <±1.5 eV. e Normalized sum of the squared residuals of the fit (R = P (data-fit)2/ P data2). f Reduced v2 (
Stern et al., 1995
)...
...d Energy shift constrained to same value for all paths in fit, uncertainties 0.1–1.8 eV. e Normalized sum of the squared residuals of the fit (R = P (data-fit)2/ P data2). f Reduced v2 (
Stern et al., 1995
)...
Andreas Voegelin
,
et al.
Distribution and speciation of arsenic around roots in a contaminated ...
...The data were processed with the UWXAFS (
Stern et al., 1995
) software package by using standard procedures...
...The implementation of these procedures for EXAFS analysis is described elsewhere (
Stern et al., 1995;
Newville et al., 1999)...
...Briefly, the uncertainty in each parameter is determined by iteratively changing the parameter’s value and re-optimizing all of the other parameters until the chi-squared value of the fit increases by 1 (
Stern et al., 1995
)...
Shelly D. Kelly
,
et al.
X-ray absorption spectroscopy identifies calcium-uranyl-carbonate comp...
...The background removal and edge-step normalization were performed using the FEFFIT code [
27
]...
Yuan Chen
,
et al.
Effect of different carbon sources on the growth of single-walled carb...
...The background removal and edge-step normalization were performed using the FEFFIT code [
26
]...
Yuan Chen
,
et al.
The effect of the cobalt loading on the growth of single wall carbon n...
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Physics Today - PHYS TODAY
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(112)
Identification of a novel protein, PriB, in Klebsiella pneumoniae
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Cheng-Yang Huang
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Biochemical and Biophysical Research Communications - BIOCHEM BIOPHYS RES COMMUN
, vol. 404, no. 1, pp. 546-551, 2011
Detection of ethanol vapours with Al-incorporated ZnO thin films
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Journal:
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, vol. 6, no. 1, pp. 7-12, 2011
High and low-affinity binding sites for Cd on the bacterial cell walls of Bacillus subtilis and Shewanella oneidensis
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Bhoopesh Mishra
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Bruce A. Bunker
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Shelly D. Kelly
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Geochimica Et Cosmochimica Acta - GEOCHIM COSMOCHIM ACTA
, vol. 74, no. 15, pp. 4219-4233, 2010
Characterization of redox sensitive plutonium(iii) complexed with alkylated 2,6-ditriazinylpyridine (BTP) in organic solution
(
Citations: 4
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Nidhu L. Banik
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Bernd Schimmelpfennig
,
Christian M. Marquardt
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Boris Brendebach
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,
Melissa A. Denecke
Journal:
Dalton Transactions - DALTON TRANS
, vol. 39, no. 21, 2010
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