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Figure 4
Reduced PDF G(r) and intensity scattering profiles from compact-shaped crystals. (a)–(e) Reduced PDF G(r ) (blue), negative shape function [ - \gamma (r )], which is the correction term in equation (6)[link] (red), and (green) the second derivative of the negative shape function for powders of particles with octahedral (a), tetrahedral (b), cylindrical rod (c), plate-like hexagonal prism (d) and concave star (e) shapes. Sizes and size ratios are given in the figure legends. (f)–(j) Powder intensity profiles for the same shapes as in (a)–(e). SAS intensity profiles (red) are compared with the powder intensity profiles simulated with the DSE (grey) and the WPDFM method (black). The same black triangle is shown in each plot to mark the descending slope of the tail of the SAS contribution.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 55| Part 2| April 2022| Pages 329-339
https://doi.org/10.1107/S1600576722001261
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