Table 1. Data-collection statistics.
Values in parentheses are for the highest resolution shell.
| Source | NW12A, Photon Factory |
| Wavelength (Å) | 1.00000 |
| Space group | P6122 or P6522 |
| Unit-cell parameters (Å) | a = b = 77.7, c = 307.5 |
| Resolution (Å) | 20.0–1.90 (1.95–1.90) |
| Observed reflections | 878833 |
| Unique reflections | 44625 |
| Multiplicity | 19.7 (12.0) |
| Data completeness (%) | 99.8 (99.8) |
| Rmerge† | 0.062 (0.388) |
| Rmeas‡ | 0.063 (0.405) |
| 〈I/σ(I)〉 | 37.6 (6.12) |
| Mosaicity (°) | 0.187 |
R
merge =
, where 〈I(hkl)〉 is the mean intensity of the observations Ii(hkl) of reflection hkl.
R
meas =
, where N(hkl) is the multiplicity of the reflection hkl, I
i(hkl) is the ith intensity measurement of the reflection hkl and 〈I(hkl)〉 is its average.