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Figure 2
Comparison of two-dimensional contours in the reconstructed mean unit cell charge density for the quantum-M (left), and multipole (right) models in the y = 0 section. (a)–(b) 2FoFc maps in 0.05 e Å−1 contours, to a maximum of 3 e Å−1. (c)–(d) FoFc difference maps in 0.05 e Å−1 contours. Negative electron density contours in each panel are colored red. The view is along the same direction as that in Fig. 4[link], in the plane of the C=O bond. The orientation is such that x increases along the horizontal, and z increases along the vertical. The image was created using mapslicer in the CCP4 suite (CCP4, 1994BB9).

Volume 3| Part 4| July 2016| Pages 237-246
ISSN: 2052-2525