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. 2009 Jul 30;65(Pt 8):825–828. doi: 10.1107/S1744309109026736

Table 1. Summary of the data statistics for SeMet FliT.

Values in parentheses are for the highest resolution shell.

Space group P3121 or P3221
Unit-cell parameters (Å, °) a = b = 121.3, c = 58.7, γ = 120
Wavelength (Å) 0.97915
Resolution (Å) 42.2–3.2 (3.37–3.2)
Observations 32827 (4862)
Unique reflections 8390 (1219)
Completeness (%) 99.3 (99.9)
Redundancy 3.9 (4.0)
I/σ(I)〉 11.1 (2.6)
Rmerge (%) 10.1 (40.2)
Ranom (%) 8.5 (28.4)

R merge = Inline graphic Inline graphic, where I i(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the weighted average intensity for all observations i of reflection hkl.

R anom = Inline graphic Inline graphic, where 〈I(hkl+)〉 and 〈I(hkl−)〉 correspond to the average intensities of each Friedel pair for reflection hkl.