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Figure 6
The variation in electron density for the k refinements, displayed as an error cube mapped on a density cube calculated for the complete model. Cubes are shown for (a) the last reasonable step 17 and (b) the refinement without any constraints (step 20). Two isosurface levels are plotted, at 1 and 2 e Å−3, and the standard deviation is capped at 0.015 e Å−3. Hydrogen density has been omitted.

Volume 4| Part 4| July 2017| Pages 420-430
ISSN: 2052-2525