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The numerical values of R-factors, obtained for analysis of PDF data are not directly comparable to those from a conventional diffraction analysis. As the scattering data are multiplied by Q during the generation of the PDF, noise in the data is amplified, such that R-factors are intrinsically higher and Q-dependent. The R-factor here of ∼14% represents an excellent fit to the data, comparable to powder diffraction fit with R ∼3%
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The numerical values of R-factors (http://www.pa.msu.edu/cmp/billinge-group/programs/discus/pdf-man.pdf) obtained for analysis of PDF data are not directly comparable to those from a conventional diffraction analysis. As the scattering data are multiplied by Q during the generation of the PDF, noise in the data is amplified, such that R-factors are intrinsically higher and Q-dependent. The R-factor here of ∼14% represents an excellent fit to the data, comparable to powder diffraction fit with R ∼3%.
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