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Figure 6
Analysis of the assembled data set 1181. (a) Plot of ACC(%) with respect to Bragg spacings. (b) Plot of the ten highest Bijvoet-difference Fourier peaks. The first nine peaks (peaks 1–9) are from nine anomalous scatterers and the tenth peak is from noise. (c) Plot of CCall/CCweak from SHELXD substructure determination for data set 1181 with different frame-rejection ratios. For each data set, 5000 SHELXD trials were performed with Emin = 1.4 and resolution cutoff = 4.0. MR-SAD with the known structure was used for SAD phasing and the mapCC after density modification are shown in parentheses.

Volume 6| Part 4| July 2019| Pages 532-542
ISSN: 2052-2525