Table 1. Crystallographic data-processing statistics.
TeGST | SeGST | |
---|---|---|
Space group | P6522 | P212121 |
Unit-cell parameters (Å) | a = 64.2, b = 64.2, c = 196.9 | a = 76.7, b = 94.3, c = 101.4 |
Resolution (Å) | 1.45 | 2.0 |
No. of observations | 391235 | 612041 |
No. of unique reflections | 43959 | 47422 |
Redundancy | 8.9 (9.0) | 12.9 (7.0) |
Data completeness (%) | 99.9 (100) | 94.3 (72.3) |
I/σ(I) | 28.9 (3.3) | 28.5 (3.0) |
Rmerge† (%) | 7.2 (68.1) | 8.1 (42.2) |
R merge = , where I i(hkl) is the intensity of the ith measurement of an equivalent reflection with indices hkl.