view article
Figure 6
(a) Slices of the 3D diffuse neutron and X-ray scattering calculated from our MF refinement (left) compared with the calculated data (top right). The lower right-hand corner shows the difference IMF − Iexp, where positive (negative) values are displayed on a white to black (red) colour scale. (b) The variation in R values for the model-agnostic MF refinement of the 3D data with the different jxy. See the supporting information for further details of the nomenclature and the complete pair-interaction Hamiltonian. Neutron scattering (N) values are shown in blue and X-ray scattering (X) in purple.

IUCrJ
Volume 9| Part 1| January 2022| Pages 21-30
ISSN: 2052-2525
https://doi.org/10.1107/S2052252521009982