Three columns are used for each system, with the first listing data resulting from merging all sub-data sets, the next from the best GA run and the last from the best HCA cluster. Note that for average sub-data-set parameters, not all sub-data sets contained enough reflections to calculate merging statistics [R meas and 〈I/σ(I)〉].
| Glucose isomerase | Ultralente insulin | Thermolysin | |||||||
|---|---|---|---|---|---|---|---|---|---|
| All | GA | HCA | All | GA | HCA | All | GA | HCA | |
| No. of sub-data sets | 30 | 21 | 20 | 53 | 30 | 19 | 206 | 8 | 36 |
| HCA CC cutoff | — | — | 0.98 | — | — | 0.97 | — | — | 0.93 |
| GA population size | — | 20 | — | — | 25 | — | — | 20 | — |
| GA generations | — | 300 | — | — | 300 | — | — | 60 | — |
| GA R weight | — | 0.5 | — | — | 4 | — | — | 8 | — |
| GA I weight | — | 1.5 | — | — | 4 | — | — | 1 | — |
| GA CC1/2 weight | — | 2 | — | — | 5 | — | — | — | |
| GA groups | — | 3 | — | — | 3 | — | — | 8 | — |
| Data sets in common between GA and HCA | — | 19 | — | — | 15 | — | — | 0 | — |
| Sub data-set R meas,inner † | 20.6 (22.9) | 9.0 (3.9) | 9.8 (3.9) | 9.7 (6.5) | 8.5 (5.7) | 9.4 (5.1) | 27.2 (27.8) | 5.6 (2.3) | 10.2 (3.8) |
| Sub data-set 〈I/σ(I)〉inner † | 7.6 (4.6) | 9.7 (3.7) | 9.8 (3.9) | 14.8 (8.5) | 15.4(8.2) | 17.6 (8.9) | 7.2 (5.8) | 15.4 (4.8) | 9.2 (4.5) |
| Sub data-set completeness† (%) | 23.8 (1.4) | 24.4 (0.8) | 24.4 (0.8) | 13.9 (0.7) | 13.9 (0.8) | 14.0 (0.6) | 44.8 (4.4) | 46.1 (3.8) | 43.9 (3.3) |
| Resolution range (Å) | |||||||||
| Overall | 46.6–1.53 | 46.6–1.53 | 46.6–1.53 | 41.13–1.50 | 41.13–1.50 | 41.13–1.50 | 46.5–1.65 | 46.5–1.65 | 46.5–1.65 |
| Outer shell | 1.57–1.53 | 1.57–1.53 | 1.57–1.53 | 1.54–1.50 | 1.54–1.50 | 1.54–1.50 | 1.69–1.65 | 1.69–1.65 | 1.69–1.65 |
| Total No. of reflections | |||||||||
| Overall | 1111281 | 784525 | 751377 | 2019411 | 114748 | 72438 | 8387107 | 322089 | 152135 |
| Outer shell | 77220 | 54777 | 52212 | 14256 | 8106 | 5326 | 958429 | 24310 | 103756 |
| No. of unique reflections | |||||||||
| Overall | 71803 | 71520 | 72007 | 13640 | 13631 | 13547 | 40366 | 39986 | 40387 |
| Outer shell | 5281 | 5243 | 5316 | 1005 | 1004 | 1037 | 2758 | 2943 | 2756 |
| Completeness (%) | |||||||||
| Inner shell | 99.3 | 98.9 | 98.9 | 98.7 | 99.3 | 99.3 | 99.8 | 99.3 | 99.5 |
| Outer shell | 100.0 | 99.8 | 99.9 | 100.0 | 99.9 | 99.7 | 100.0 | 100.0 | 100.0 |
| Overall | 100.0 | 99.9 | 99.6 | 100.0 | 99.9 | 99.5 | 100.0 | 99.0 | 100.0 |
| Multiplicity | |||||||||
| Inner shell | 14.8 | 10.4 | 10.0 | 16.1 | 9.2 | 5.8 | 192.1 | 7.3 | 34.3 |
| Outer shell | 14.6 | 10.4 | 9.8 | 14.2 | 8.1 | 5.1 | 205.7 | 8.3 | 37.6 |
| Overall | 15.5 | 10.9 | 10.4 | 14.8 | 8.4 | 5.3 | 207.7 | 8.0 | 37.7 |
| R factor (%) | |||||||||
| Inner shell | 14.7 | 9.4 | 8.0 | 43.4 | 6.8 | 7.0 | 39.0 | 8.7 | 11.8 |
| Outer shell | 249.1 | 153.8 | 170.0 | 108.1 | 85.4 | 74.5 | 379.0 | 171.2 | 119.7 |
| Overall | 33.9 | 20.4 | 21.3 | 34.0 | 9.1 | 9.2 | 91.3 | 27.4 | 25.2 |
| R meas (%) | |||||||||
| Inner shell | 15.2 | 9.9 | 8.4 | 44.8 | 7.2 | 7.6 | 39.2 | 9.4 | 12.0 |
| Outer shell | 258.1 | 161.5 | 179.1 | 112.1 | 91.2 | 82.9 | 380.7 | 182.5 | 121.3 |
| Overall | 35.1 | 21.4 | 22.3 | 35.3 | 9.7 | 10.2 | 91.6 | 29.5 | 25.5 |
| 〈I/σ(I)〉 | |||||||||
| Inner shell | 27.9 | 27.1 | 26.8 | 31.9 | 33.4 | 23.4 | 66.2 | 99.4 | 27.3 |
| Outer shell | 2.5 | 2.5 | 2.4 | 2.6 | 2.4 | 1.9 | 1.4 | 1.6 | 4.1 |
| Overall | 10.7 | 10.6 | 10.3 | 13.3 | 12.9 | 9.7 | 15.2 | 17.0 | 12.9 |
| SigAno | |||||||||
| Inner shell | — | — | — | — | — | — | — | — | — |
| Outer shell | — | — | — | — | — | — | — | — | — |
| Overall | — | — | — | — | — | — | — | — | — |
| CC1/2(%) | |||||||||
| Inner shell | 97.9 | 99.5 | 99.5 | 99.7 | 99.8 | 99.7 | 97.7 | 98.2 | 99.5 |
| Outer shell | 68.0 | 70.8 | 66.6 | 77.4 | 79.1 | 67.3 | 69.7 | 55.3 | 91.5 |
| Overall | 99.2 | 99.5 | 99.5 | 99.3 | 99.8 | 99.7 | 99.1 | 91.7 | 99.7 |