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. 2009 Apr 24;65(Pt 5):475–477. doi: 10.1107/S1744309109011634

Table 1. Crystallographic data-processing statistics.

Values in parentheses are for the highest resolution bin (approximate interval of 0.1 Å).

  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 = Inline graphic Inline graphic, where I i(hkl) is the intensity of the ith measurement of an equivalent reflection with indices hkl.