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Figure 9
The mean error (ME) and the root-mean-square difference (RMSD) of Uiso/Ueq (10−3 Å2), and the average similarity index of anisotropic ADPs for non-H atoms for structure refinements with experimental (xSFex) or theoretical (xSFth) X-ray diffraction data sets truncated to various resolutions (dmin = 0.8, 0.6, 0.4 Å) using various scattering models (xIAM, xTAAM) and sets of refined parameters (options 1, 2, 3 or 4). The indicators were computed with reference to values from neutron diffraction collected from the carbamazepine crystal.

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ISSN: 2053-2733
Volume 76| Part 1| January 2020| Pages 92-109
https://doi.org/10.1107/S2053273319015304
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