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Figure 2
Visual comparison showing different misfits due to incorrect parameter values. Figure components follow the description for Fig. 1[link](b). (a) A lattice parameter is shifted, causing differences that are highlighed in the difference plot for some peaks. (b) The Uiso values are too large, causing the reflection intensities to fall off more quickly than expected. (c) The peak widths are misfitted; this is also visually apparent from the difference curve with features that differ from (a).

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 57| Part 1| February 2024| Pages 175-180
https://doi.org/10.1107/S1600576723011032
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