Table 1. Data-collection statistics.
Space group | P212121 |
Unit-cell parameters (Å) | a = 64.41, b = 68.28, c = 147.54 |
Resolution (Å) | 44.68–1.70 (1.79–1.70) |
Total No. of observations | 339168 (50200) |
No. of unique observations | 71075 (10418) |
Multiplicity | 4.8 (4.8) |
Data completeness (%) | 98.5 (99.9) |
〈I/σ(I)〉 | 12.4 (3.7) |
Rmerge† | 0.091 (0.337) |
Rp.i.m.‡ | 0.050 (0.201) |
R merge = , where Ii(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the weighted average intensity for all observations i of reflection hkl.
See Weiss &, Hilgenfeld (1997 ▶).