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. 2016 Nov 24;49(Pt 6):2235–2243. doi: 10.1107/S1600576716016800

Table 2. Processing statistics for student-collected data sets at ALS beamline 4.2.2.

Data set 1 2 3 4 5 6 7 8
X-ray source ALS 4.2.2 ALS 4.2.2 ALS 4.2.2 ALS 4.2.2 ALS 4.2.2 ALS 4.2.2 ALS 4.2.2 ALS 4.2.2
Wavelength (Å) 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000
Total oscillation angle (°) 180 180 180 180 180 180 70 180
Resolution range (Å) 61.9–1.87 (1.91–1.87) 61.9–1.90 (1.94–1.90) 61.9–1.83 (1.86–1.83) 62.0–2.10 (2.16–2.10) 61.8–1.88 (1.92–1.88) 62.0–2.03 (2.08–2.03) 61.2–2.80 (2.95–2.80) 61.5–2.20 (2.27–2.20)
Space group P41212 P41212 P41212 P41212 P41212 P41212 P41212 P41212
Unit-cell parameters (Å) a = b = 61.9, c = 209.6 a = b = 61.9, c = 209.6 a = b = 61.9, c = 210.7 a = b = 62.0, c = 210.1 a = b = 61.8, c = 209.3 a = b = 62.0, c = 210.7 a = b = 61.2, c = 205.0 a = b = 61.5, c = 207.6
No. of observations 469452 453827 491485 258343 457744 342662 52010 283606
Unique reflections 34857 33295 37680 24995 34159 27699 10091 21261
Multiplicity 13.5 13.6 13 10.3 13.4 12.4 5.2 13.3
I/σ(I) 26 (2.0) 19 (1.9) 25 (1.9) 14 (1.8) 21 (2.0) 20 (2.2) 10.3 (1.9) 17 (2.0)
R merge 0.076 (1.254) 0.112 (1.449) 0.079 (0.972) 0.103 (0.677) 0.085 (1.195) 0.100 (0.823) 0.156 (0.838) 0.109 (1.215)
R meas 0.079 (1.314) 0.117 (1.505) 0.082 (1.032) 0.108 (0.739) 0.089 (1.249) 0.105 (0.890) 0.174 (0.930) 0.113 (1.266)
R pim 0.021 (0.391) 0.031 (0.406) 0.023 (0.335) 0.031 (0.287) 0.024 (0.361) 0.029 (0.330) 0.076 (0.397) 0.031 (0.352)
CC1/2 1.0 (0.78) 1.0 (0.70) 1.0 (0.70) 1.0 (0.71) 1.0 (0.80) 1.0 (0.76) 0.99 (0.70) 1.0 (0.77)
Completeness (%) 100 (100) 100 (100) 100 (100) 99.9 (99.3) 100 (100) 100 (99.8) 98.7 (99.5) 100 (100)

Only 70° of data could be processed owing to an apparent pathology, most likely a split crystal.