Table 1. Summary of the data statistics for SeMet FliT.
Values in parentheses are for the highest resolution shell.
| Space group | P3121 or P3221 |
| Unit-cell parameters (Å, °) | a = b = 121.3, c = 58.7, γ = 120 |
| Wavelength (Å) | 0.97915 |
| Resolution (Å) | 42.2–3.2 (3.37–3.2) |
| Observations | 32827 (4862) |
| Unique reflections | 8390 (1219) |
| Completeness (%) | 99.3 (99.9) |
| Redundancy | 3.9 (4.0) |
| 〈I/σ(I)〉 | 11.1 (2.6) |
| Rmerge† (%) | 10.1 (40.2) |
| Ranom‡ (%) | 8.5 (28.4) |
R
merge =
, where I
i(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the weighted average intensity for all observations i of reflection hkl.
R
anom =
, where 〈I(hkl+)〉 and 〈I(hkl−)〉 correspond to the average intensities of each Friedel pair for reflection hkl.