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. 2011 Nov 30;67(Pt 12):1623–1626. doi: 10.1107/S1744309111028995

Table 1. X-ray data-collection statistics for crystals of BPSL1549.

Values in parentheses are for the highest resolution shell.

Space group P212121
Unit-cell parameters (Å) a = 37.1, b = 45.4, c = 111.9
Temperature (K) 100
X-ray source ID29, ESRF
Data-collection wavelength (Å) 0.82
Detector ADSC Q315R
Resolution range (Å) 25–1.47 (1.56–1.47)
Total No. of observations 155353 (22707)
Unique reflections 32232 (4691)
Rmerge 0.066 (0.135)
Completeness (%) 99.0 (99.7)
Multiplicity 4.8 (4.8)
Mean I/σ(I) 17.3 (9.4)

R merge = Inline graphic Inline graphic, where Ii(hkl) and 〈I(hkl)〉 are the observed intensities and the mean intensity of related reflections, respectively.