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. 2018 Feb 14;5(Pt 2):190–199. doi: 10.1107/S2052252518000945

Table 1. Data statistics for SAPO-34.

The resolution shells given are the full range, the low-resolution shell and the high-resolution shell. Note that the crystals diffracted beyond the edge of the detector, so that the high-resolution completeness is reduced. This also affects the statistics. Literature cell dimensions for the CHA framework: a = b = c = 9.371 Å, α = β = γ = 94.70° (Wragg et al., 2010).

Threshold (keV) 25 60
ΔΦ (°) 0.0148 0.0148
Φ (°) 80 75
Δdetector (mm) 306.044 306.044
Space group Inline graphic Inline graphic
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