Table 2.
Statistics from data measurements
| Wavelength, Å | dmin, Å | Reflections* | Completeness, % | 〈I/σ(I)〉 | Rsym†, % | |
|---|---|---|---|---|---|---|
| λ1 (asc. inflection) | 3.3281 | 3.2 | 28,821 (6,484) | 93.5 | 9.5 | 12.1 |
| λ2 (peak) | 3.3256 | 3.2 | 28,889 (6,499) | 93.7 | 9.1 | 12.3 |
| λ3 (desc. inflection) | 3.3239 | 3.2 | 29,022 (6,559) | 94.6 | 9.6 | 12.1 |
| λ4 (remote) | 3.2886 | 3.2 | 29,231 (6,550) | 94.5 | 9.7 | 11.8 |
| λ5 (high energy) | 1.0970 | 2.3 | 145,528 (18,756) | 97.6 | 38.6 | 6.0 |
*
Value in parentheses is the number of unique reflections. Bijvoet mates are considered independent in all cases.
†
Rsym = 100 × ΣhΣi|Ii(h) − 〈I(h)〉|/ΣhΣiIi(h).