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Figure 4
Fourier density maps computed from electron (e Å−1) and X-ray (e Å−3) dynamic structure factors of the carbamazepine crystal, truncated at dmin = 0.83 Å. Structure factors were computed for target atomic positions and thermal parameters. Theory: the [| F_{\rm th}({\bf{h}} ) |\exp(i\varphi _{\rm TAAM})] map; Theory–TAAM: the [[| F_{\rm th}({\bf{h}} ) | - | F_{\rm TAAM}({\bf{h}} ) | ]\exp(i\varphi _{\rm TAAM})] map using green contours for positive density and red for negative; TAAM–IAM: the [| F_{\rm TAAM}({\bf{h}} )|\exp(i\varphi _{\rm TAAM}) - | F_{\rm IAM}({\bf{h}} )|\exp(i\varphi _{\rm IAM})] map using blue contours for positive density and orange for negative.

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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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