Table 1. Merged data-collection statistics for DatA.
Values in parentheses are for the highest resolution shell.
| Beamline | Photon Factory NE-3A |
| Space group | P422 |
| Unit-cell parameters (Å) | a = b = 123.7, c = 88.1 |
| Wavelength (Å) | 1.0000 |
| Resolution (Å) | 50–1.70 (1.75–1.70) |
| No. of observations | 1563053 (72718) |
| No. of unique reflections | 75138 (5375) |
| Data completeness (%) | 99.8 (97.7) |
| Multiplicity | 20.8 (13.5) |
| Rmerge† | 0.053 (0.362) |
| 〈I/σ(I)〉 | 43.7 (8.6) |
R
merge =
, where Ii(hkl) is the intensity of reflection hkl and 〈I(hkl)〉 is the mean intensity of reflection hkl.