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. 2012 Apr 20;68(Pt 5):540–542. doi: 10.1107/S1744309112011645

Table 1. Data-collection statistics.

Values in parentheses are for the highest resolution shell.

Source NW12A, Photon Factory
Wavelength (Å) 1.00000
Space group P6122 or P6522
Unit-cell parameters (Å) a = b = 77.7, c = 307.5
Resolution (Å) 20.0–1.90 (1.95–1.90)
Observed reflections 878833
Unique reflections 44625
Multiplicity 19.7 (12.0)
Data completeness (%) 99.8 (99.8)
Rmerge 0.062 (0.388)
Rmeas 0.063 (0.405)
I/σ(I)〉 37.6 (6.12)
Mosaicity (°) 0.187

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

R meas = Inline graphic Inline graphic, where N(hkl) is the multiplicity of the reflection hkl, I i(hkl) is the ith intensity measurement of the reflection hkl and 〈I(hkl)〉 is its average.