Table 1. Data-reduction statistics for the semi-synthetic multi-lattice data sets, including overlapping reflections.
Values in parentheses are for the outer resolution shell. R meas, R p.i.m. and CC1/2 are calculated as defined by Diederichs & Karplus (1997 ▶), Weiss (2001 ▶) and Karplus & Diederichs (2012 ▶), respectively. The number of rejected reflections refers to the reflections identified as outliers during scaling.
| 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 | 224218/51438 | 223517/51438 | 222939/51432 | 222303/51514 |
| No. of rejected reflections | 70 | 832 | 1352 | 1733 | 1977 |
| Completeness (%) | 98.1 (99.3) | 98.1 (99.3) | 98.1 (99.3) | 98.0 (99.3) | 98.0 (99.4) |
| Multiplicity | 4.4 (4.3) | 4.4 (4.3) | 4.3 (4.3) | 4.3 (4.3) | 4.3 (4.3) |
| R meas (%) | 3.0 (8.8) | 3.3 (10.6) | 3.6 (12.5) | 4.1 (14.1) | 6.9 (25.4) |
| R p.i.m. (%) | 1.4 (4.1) | 1.5 (4.9) | 1.7 (5.8) | 1.9 (6.6) | 3.3 (11.9) |
| 〈I/σ(I)〉 | 34.8 (15.8) | 27.8 (11.7) | 23.9 (9.3) | 19.4 (7.4) | 12.3 (4.4) |
| CC1/2 (%) | 99.8 (99.3) | 99.8 (98.9) | 99.8 (98.3) | 99.7 (98.1) | 99.3 (93.5) |