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. 2018 Feb 1;74(Pt 2):85–97. doi: 10.1107/S2059798317017235

Table 2. Merging statistics for L-cysteine data obtained on Diamond Light Source beamline I19-1.

Crystal parameters
 Space group P212121
 Unit-cell parameters (Å) a = 5.4278 (9), b = 8.1444 (13), c = 12.0391 (21)
V3) 532.2007 (955)
 Formula C3H7NO2S
Data statistics
 Resolution range (Å) 6.74–0.58 (0.63–0.58)
 No. of unique reflections 1552 (263)
 Multiplicity 7.6 (3.7)
R merge 0.033 (0.068)
R meas 0.035 (0.078)
R p.i.m. 0.011 (0.036)
 Completeness (%) 95.0 (83.3)
 〈I/σ(I)〉 28.5 (13.5)
 CC1/2 1.000 (0.992)
Refinement
R[F 2 > 2σ(F 2)] 0.0304
R (all data) 0.0312
wR(F 2) (all data) 0.0887
 Goodness-of-fit (F 2) 1.103
 Flack parameter 0.05 (3)
 No. of reflections 7388
 No. of parameters 66
 No. of restraints 0