Skip to main content
. 2009 Jan 31;65(Pt 2):177–183. doi: 10.1107/S1744309109000372

Table 1. Data-processing statistics.

Values in parentheses are for the highest resolution shell.

  Data set 1 Data set 2
Space group R3 R3
Unit-cell parameters (Å, °)    
 Hexagonal a = b = 257.8, c = 607.0 a = b = 257.7, c = 603.8
 Rhombohedral a = 251.2, α = 61.73 a = 250.7, α = 61.96
No. of observations 78243 177517
Unique reflections 76529 (4081) 147388 (3727)
Resolution (Å) 100–3.0 (3.07–3.00) 100–2.6 (2.66–2.60)
Rmerge (%) 6.7 (9.4) 6.6 (42.2)
I〉/〈σ(I)〉 5.55 (1.92) 6.14 (1.11)
Completeness (%) 12.7 (10) 32.1 (12)

R merge = Inline graphic Inline graphic, where I i(hkl) is the ith observation of a symmetry equivalent of reflection hkl.

The highest resolution shell has no symmetry-equivalent reflections and therefore R merge was calculated in medium-resolution shells (4.7–4.3 Å for data set 1 and 2.9–2.8 Å for data set 2).