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Figure 13
The mean error (ME) and the root-mean-square difference (RMSD) of the X—H bond lengths (Å) for structure refinements with experimental (eSFex) or theoretical (eSFth) ED data sets truncated to various resolutions (dmin = 0.8, 0.6, 0.4 Å) using various scattering models (eIAM, eTAAM) and sets of refined parameters (options 3 or 4). The ME was 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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