Figure 3
Anomalous substructure solutions from SHELXC/D. (a) Anomalous diffraction signal strength as a function of resolution, d′′/sig (ΔF/σΔF), computed using SHELXC: empty squares, all data sets; empty diamonds, cluster 1+2; empty triangles, cluster 1; filled triangles, cluster 3; filled circles, cluster 2. (b)–(f) Correlation coefficients CCall and CCweak for 10 000 substructure solutions determined by SHELXD; the inset in (f) shows the distribution of solutions from 100 attempts. |