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. 2020 Jan 1;76(Pt 1):92–109. doi: 10.1107/S2053273319015304

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© Barbara Gruza et al. 2020

This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

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The mean error (ME) and the root-mean-square difference (RMSD) of U _iso/U _eq (10⁻³ Å²), and the average similarity index of anisotropic ADPs for H atoms for structure refinements with experimental (eSFex) or theoretical (eSFth) ED data sets truncated to various resolutions (d _min = 0.8, 0.6, 0.4 Å) using various scattering models (eIAM, eTAAM) and sets of refined parameters (options 3 or 4). The indicators were computed with reference to values from neutron diffraction collected from the carbamazepine crystal.