Table 1. Data-collection statistics [30 ms data from Olmos et al. (2018 ▸)].
Water (reference) | 5 ms CEF | 10 ms CEF | 50 ms CEF | 66 ms SUB | 30 ms CEF (LCLS) | |
---|---|---|---|---|---|---|
Temperature (K) | 293 | 293 | 293 | 293 | 293 | 293 |
Space group | P21 | P21 | P21 | P21 | P21 | P21 |
EuXFEL train pulse rate (kHz) | 564 | 564 | 564 | 564 | 564 | 564 |
a, b, c (Å) | 80.9, 99.5, 112.6 | 80.6, 98.7, 113.1 | 80.6, 98.5, 113.5 | 80.4, 98.2, 115.2 | 81.0, 99.5, 112.6 | 78.7, 96.8, 112.6 |
α, β, γ (°) | 90, 108.4, 90 | 90, 108.6, 90 | 90, 108.8, 90 | 90, 110.0, 90 | 90, 108.4, 90 | 90, 109.7, 90 |
Resolution (Å) | 2.8 | 2.4 | 2.6 | 2.6 | 2.7 | 2.7 |
Hits | 51980 | 110698 | 85775 | 85914 | 35886 | 35065 |
Indexed patterns | 31812 | 105495 | 52323 | 36256 | 25013 | 24397 |
Hit/indexing rate (%) | 2.98/61.2 | 0.65/95.3 | 1.33/61.0 | 2.26/42.2 | 0.78/69.7 | 3.87/69.5 |
Observed reflections | 31572191 | 114717921 | 49576617 | 38055135 | 21034155 | 14588166 |
Unique reflections | 41870 | 65232 | 51595 | 50760 | 45344 | 40340 |
Multiplicity | 754 (236) | 1758 (1246) | 966.3 (580.4) | 749.7 (449.4) | 463.8 (307.4) | 526 (142) |
Completeness (%) | 100 (100) | 100 (100) | 100 (100) | 100 (100) | 100 (100) | 100 (100) |
R split (%) | 20.6 (988) | 15.6 (303.7) | 17.8 (334) | 20.9 (198.1) | 21.4 (459.2) | 14.2 (121.1) |
CC1/2 (%) | 96.5 (22.9) | 99.2 (26.9) | 99.6 (58.4) | 99.5 (58.4) | 96.9 (20.5) | 98.6 (34.5) |