 | Acta Crystallographica Section B Acta Crystallographica Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS |
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![[Figure 2]](px5057fig2mag.jpg)
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Figure 2
Top: Observed structure factor squared ![[F_{\rm obs}^2]](teximages/px5057fi1.svg){kind=small} divided by calculated structure factor squared ![[F_{\rm calc}^2]](teximages/px5057fi2.svg){kind=small} , plotted in bins from 0 to 1.5 Å−1 (Zavodnik et al., 1999 , Zhurov et al., 2008). Middle: Fractal dimension plots (Meindl & Henn, 2008) of all datasets calculated from a 1 × 1 × 1 unit-cell cube of the electron density with 72 × 80 × 108 grid points along the a, b and c direction, respectively, for a uniform grid. Bottom: Residual density maps in the plane of the ring. Blue means that a higher electron density is observed than calculated, while red is lower electron density. The black dotted line is zero. Contours are shown at 0.1 e Å−3 intervals. Only atoms within a 0.2 Å distance of the plane defined by C1/C2/C3 are labeled in the plot. Both the fractal dimension plots and residual density maps are calculated at the largest common resolution cutoff at 1.17 Å−1 for a better comparison. |
![[Figure 2]](px5057fig2.jpg)
| STRUCTURAL SCIENCE CRYSTAL ENGINEERING MATERIALS |
ISSN: 2052-5206
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