Table 2. Data-collection statistics.
Values in parentheses are for the highest resolution shell and values in square brackets are for the lowest resolution shell.
| Resolution limits (Å) | 60.41–8.9 (9.38–8.9) [60.41–28.14] |
| Rmerge† | 21.9 (50.2) [5.4] |
| Total observations | 322540 (45331) [8061] |
| Unique observations | 81623 (11817) [2041] |
| 〈I/σ(I)〉 | 7.1 (2.8) [25.7] |
| Completeness (%) | 99.6 (99.9) [87.7] |
| Multiplicity | 4.0 (3.8) [3.3] |
R
merge =
, where I
hl is the lth observation of reflection h and 〈I
h〉 is the weighted average intensity for all observations l of reflection h.