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. 2009 Apr 24;65(Pt 5):508–511. doi: 10.1107/S1744309109013591

Table 1. Data-collection statistics.

Values in parentheses are for the last shell.

  Form I Form II
Wavelength (Å) 0.97928 1.00
Space group I212121 P21
Unit-cell parameters (Å, °) a = 101.6, b = 213.3, c = 231.7 a = 119.4, b = 98.0, c = 129.6, β = 90.002
Resolution (Å) 50–3.20 (3.26–3.20) 50–2.30 (2.33–2.30)
Measured reflections 333405 (10435) 436815 (13035)
Unique reflections 41584 (2046) 123831 (5214)
Redundancy 8.0 (5.1) 3.7 (2.5)
Completeness (%) 99.5 (99.3) 92.2 (78.5)
I/σ(I)〉 11.5 (2.2) 12.2 (2.0)
Rmerge 0.126 (0.398) 0.083 (0.248)

R merge = Inline graphic Inline graphic, where I i(hkl) is the observed intensity and 〈I(hkl)〉 is the average intensity over symmetry-equivalent measurements.