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Figure 8
Residual potential maps [[|F_{\rm th}^e({\bf h})| - | F_{\rm model}^e({\bf h})|]\exp(i\varphi_{\rm model})] from kinematical refinements on simulated [F_{\rm th}^e({\bf h})] kinematical data with various scattering models: IAM, TAAM, molecule-TAAM and crystal-TAAM. Contour colour code: green – positive, red – negative. Anisotropic ADPs were applied to all atoms. Thermal ellipsoids with 50% probability. Note that for IAM the contour level is twice the size of the other models.

IUCrJ
Volume 11| Part 3| May 2024| Pages 309-324
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524001763