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. 2011 Dec 24;68(Pt 1):69–72. doi: 10.1107/S1744309111047634

Table 1. Data-collection and refinement statistics.

Values in parentheses are for the highest resolution shell.

Unit-cell parameters
a = b (Å) 146.2
c (Å) 204.3
 α = β (°) 90.0
 γ (°) 120.0
Space group P61
Wavelength (Å) 1.0000
Resolution (Å) 50.00–3.60 (3.66–3.60)
Total No. of reflections 218698 (10900)
No. of unique reflections 28872 (1454)
Completeness (%) 100.0 (100.0)
Average I/σ(I) 6.2 (3.4)
Rmerge (%) 14.4 (44.8)

R merge = Inline graphic Inline graphic, where 〈I(hkl)〉 is the mean of the observations I i(hkl) of reflection hkl.