| Symmetry used in scalepack | p222 |
|---|---|
| a (Angstrom) | 5.4067 +/- 0.0008 |
| b (Angstrom) | 16.582 +/- 0.002 |
| c (Angstrom) | 16.690 +/- 0.003 |
| alpha (°) | 90.000 |
| beta (°) | 90.000 |
| gamma (°) | 90.000 |
| Volume (A**3) | 1496.3 +/- 0.4 |
| Mosaicity (°) | 2.275 +/- 0.010 |
| Total number of images collected | 98 |
|---|---|
| Total exposure time | 63.0 minutes |
| Data collection exposure time | 60.3 minutes |
| Data collection wall-clock time | 72.5 minutes |
| Wavelength | 0.71073 A |
|---|---|
| Generator setting | 50kV 90mA |
| Crystal to detector distance | 45.00 mm |
| Type | Name | # images | Total Rotation | Per frame Rotation | Exposure per frame | Used in scaling |
|---|---|---|---|---|---|---|
| data collection | s01f | 90 | 180.0° phi | 2.000° | 40 seconds | Yes |
| Phi/Chi | i01f - i08f | 8 | 20 seconds |
| Overload or incomplete profile | 332 |
|---|---|
| Sigma cutoff | 35 |
| High resolution limit | 307 |
| Scale factor | 10.00 |
|---|---|
| Number of 'full' reflections | 34 |
| Number of 'partial' reflections | 14031 |
| Total number of integrated reflections | 4219 |
| Total number of unique reflections | 1860 |
| Data completeness | 96.9% |
| Resolution range | 7.00-0.77 A |
| Theta range | 2.91°-27.48° |
| Average Intensity | 52.2 |
| Average Sigma(I) | 4.5 |
| Overall R-merge (linear) | 0.191 |
| Collection Temperature | 120 K |
| Crystal Size | x x |
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