Table 3. Data-reduction statistics for the semi-synthetic multi-lattice data sets, excluding overlapping reflections prior to scaling, using N σ = 2, where N σ is the number of standard deviations used to calculate the reflection mask.
Values in parentheses are for the outer resolution shell.
| Data set | 12 × one-lattice | 6 × two-lattice | 4 × three-lattice | 3 × four-lattice | 2 × six-lattice |
|---|---|---|---|---|---|
| Resolution range (Å) | 43.85–1.30 (1.35–1.30) | 43.85–1.30 (1.35–1.30) | 43.85–1.30 (1.35–1.30) | 43.85–1.30 (1.35–1.30) | 43.87–1.30 (1.35–1.30) |
| No. of reflections: total/unique | 225096/51437 | 218529/51377 | 211277/51253 | 202828/51134 | 176631/50568 |
| No. of rejected reflections | 70 | 192 | 439 | 289 | 575 |
| Fraction of overlaps (%) | — | 2.1–3.4 | 5.4–6.2 | 8.5–11.7 | 18.8–23.4 |
| Completeness (%) | 98.1 (99.3) | 97.9 (99.2) | 97.7 (99.0) | 97.5 (98.8) | 96.2 (97.4) |
| Multiplicity | 4.4 (4.3) | 4.3 (4.2) | 4.1 (4.0) | 4.0 (3.8) | 3.5 (3.3) |
| R meas (%) | 3.0 (8.8) | 3.2 (10.4) | 3.5 (12.1) | 3.5 (12.9) | 4.9 (23.9) |
| R p.i.m. (%) | 1.4 (4.1) | 1.5 (4.9) | 1.6 (5.8) | 1.7 (6.3) | 2.5 (12.4) |
| 〈I/σ(I)〉 | 34.8 (15.8) | 30.9 (13.0) | 30.8 (11.8) | 26.7 (9.9) | 24.2 (8.0) |
| CC1/2 (%) | 99.8 (99.3) | 99.9 (99.0) | 99.8 (98.6) | 99.9 (98.5) | 99.8 (93.7) |