Table 2. Data-reduction statistics for the semi-synthetic multi-lattice data sets, excluding overlapping reflections prior to scaling, using N σ = 3, 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 | 207352/51242 | 187700/50804 | 167348/50193 | 111993/46119 |
| No. of rejected reflections | 70 | 75 | 177 | 162 | 130 |
| Fraction of overlaps (%) | – | 6.3–9.4 | 15.0–18.0 | 22.7–30.9 | 45.3–55.1 |
| Completeness (%) | 98.1 (99.3) | 97.7 (99.0) | 96.8 (98.0) | 95.7 (96.0) | 87.8 (85.3) |
| Multiplicity | 4.4 (4.3) | 4.0 (3.9) | 3.7 (3.5) | 3.3 (3.1) | 2.4 (2.1) |
| R meas (%) | 3.0 (8.8) | 3.2 (10.4) | 3.3 (11.8) | 3.5 (12.8) | 4.0 (21.4) |
| R p.i.m. (%) | 1.4 (4.1) | 1.5 (5.0) | 1.6 (6.0) | 1.8 (6.8) | 2.2 (12.9) |
| 〈I/σ(I)〉 | 34.8 (15.8) | 31.1 (13.0) | 27.8 (10.6) | 32.4 (10.3) | 20.7 (6.4) |
| CC1/2 (%) | 99.8 (99.3) | 99.9 (99.0) | 99.9 (98.5) | 99.9 (98.2) | 99.8 (92.4) |