Skip to main content
. 2021 Sep 9;8(Pt 6):878–895. doi: 10.1107/S2052252521008125

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)