Figure 7
80 rejection iterations of modified 1g1c (100 data sets): one data set is rejected per iteration. XDSCC12 analysis performed with all data sets based on ΔCC1/2 is shown in black. Random rejection is shown in blue. (a) Highest ΔCC1/2,i of the rejected data sets, (b) CC1/2, (c) CC1/2_ano, (d) the best SHELXD CFOM solutions, (e) completeness and (f) CCtrace/nat from SHELXE. The range of iterations where random and ΔCC1/2-based rejections differ is highlighted by an orange rectangle. |