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Figure 12
The right panel shows a comparison of overall χ2 agreement factor for 100% individual atom moves (black line) and a combination of 50% individual atom moves and 50% molecule type moves (translation and rotation). The two panels on the left show the refined PDF G(r) at certain times as marked by black dots.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 57| Part 4| August 2024| Pages 1251-1262
https://doi.org/10.1107/S1600576724004175
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