Table 1. Data statistics for SAPO-34.
Threshold (keV) | 25 | 60 |
ΔΦ (°) | 0.0148 | 0.0148 |
Φ (°) | 80 | 75 |
Δdetector (mm) | 306.044 | 306.044 |
Space group | ||
Unit cell (Å, °) | ||
a = b = c | 9.657 (30) | 9.609 (2) |
α = β = γ | 94.210 (41) | 94.460 (25) |
Resolution (Å) | ||
Total | 9.60–0.65 | 9.55–0.65 |
Low-resolution shell | 9.60–1.93 | 9.55–1.92 |
High-resolution shell | 0.69–0.65 | 0.69–0.65 |
No. of reflections | 3926, 226, 188 | 3802, 214, 181 |
No. of unique reflections | 1697, 84, 127 | 1673, 79, 119 |
Completeness (%) | 75.9, 97.7, 34.3 | 75.3, 91.9, 32.7 |
I/σ(I) | 2.64, 4.57, 0.95 | 2.81, 4.89, 1.04 |
CC 1/2 (%) (Karplus & Diederichs, 2012 ▸) | 95.1, 95.3, 48.8 | 96.3, 95.4, 47.5 |
R meas (%) (Diederichs & Karplus, 1997 ▸) | 25.3, 16.8, 53.6 | 22.9, 17.4, 57.7 |