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.