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Figure 4
Maximum (blue), minimum (red) and root-mean-square (black/grey) residual densities of VT datasets as functions of temperature, for spherical and TAAM refinements. The dark-coloured bar represents spherical refinement, the light-coloured bar represents TAAM refinement, and the lightest-coloured bar with a dark border represents the difference between spherical and TAAM refinements. |
ISSN: 2052-2525
CHEMISTRY | CRYSTENG
Open
access
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