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Figure 1
Data quality and phasing statistics as a function of the number of patterns. FOM is reported by SHELXE for the correct hand. Map CC is the real-space CC between the model built by Buccaneer and the final refined 2mFoDFc map. `Anode' is the maximum peak height of the anomalous difference Fourier map calculated by ANODE (Thorn & Sheldrick, 2011BB54) with the refined model. [d^{\prime\prime}/\sigma] was calculated with FA and σ(FA) in the output of SHELXC (Sheldrick, 2010BB49). The high-resolution cutoffs for Stem-Se, ACG-Se and LRE-Hg are 1.4, 1.5 and 1.5 Å, respectively. Note that the reason why the overall multiplicities do not increase in the same way despite the same Laue symmetry (for Stem-Se and LRE-Hg) is (i) a different resolution cutoff, (ii) a per-pattern resolution cutoff in merging, and (iii) different reciprocal-lattice point sizes determined for each pattern. This figure was prepared using ggplot2 (Wickham, 2009BB61) in R (R Development Core Team, 2008BB42).

Volume 4| Part 5| September 2017| Pages 639-647
ISSN: 2052-2525