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Figure 5
The PDF of CeO2 refined with the improved algorithm. Original data are in blue (background) and calculated data in red. The upper difference curve shows PDFobs − PDFcalc (black) for the model including a Qzero point correction and is offset by −5 Å−2 for clarity. The second, lower, difference curve shows PDFobs − PDFcalc (black) for the model without a Qzero point correction. The inset shows the distance range from 70 to 80 Å; the dashed line corresponds to the PDF calculated without a Qzero point correction and is systematically shifted to shorter distances.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 53| Part 3| June 2020| Pages 710-721
https://doi.org/10.1107/S1600576720004616
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