Table 1. Typical parameters for data collection and data processing of individual data sets by XDS .
Statistics in different resolution shells are given in Tables S2 and S3.
| SAED data set | NED data set | |
|---|---|---|
| Spot size | 5 | 11 |
| Dose rate (e Å−2 s−1) | 0.05 | 0.05 |
| Diffraction area (nm) | 750 | 750 |
| Tilt range (°) | 39.64 to −40.00 | −39.71 to 40.00 |
| Tilt step (°) | 0.430 | 0.429 |
| Exposure time (s) | 0.30 | 0.30 |
| Camera length (mm) | 580 | 580 |
| Mono focus | 100.34 | 78.89 |
| Rotation speed (° s−1) | 1.441 | 1.434 |
| Total No. of reflections | 17224 | 17825 |
| No. of unique reflections | 2622 | 2692 |
| Completeness (%) | 47.1 | 48.3 |
| Resolution cutoff (Å) | 0.80 | 0.80 |
| I/σ | 4.19 | 4.42 |
| R obs | 0.208 | 0.217 |
| R exp | 0.239 | 0.248 |
| R meas | 0.228 | 0.239 |
| CC 1/2 | 98.7 | 98.1 |
| Unit-cell parameters | ||
| a (Å) | 20.38 (4) | 20.56 (4) |
| b (Å) | 19.58 (1) | 19.59 (1) |
| c (Å) | 13.21 (2) | 13.18 (2) |