| Symmetry used in scalepack | i4 |
|---|---|
| a (Angstrom) | 33.7885 +/- 0.0008 |
| b (Angstrom) | 33.7884 +/- 0.0008 |
| c (Angstrom) | 22.0141 +/- 0.0007 |
| alpha (°) | 90.000 |
| beta (°) | 90.000 |
| gamma (°) | 90.000 |
| Volume (A**3) | 25132.6 +/- 1.2 |
| Mosaicity (°) | 0.758 +/- 0.002 |
| Total number of images collected | 236 |
|---|---|
| Total exposure time | 94.7 minutes |
| Data collection exposure time | 92.0 minutes |
| Data collection wall-clock time | 128.2 minutes |
| Wavelength | 0.71073 A |
|---|---|
| Generator setting | 50kV 90mA |
| Crystal to detector distance | 40.00 mm |
| Type | Name | # images | Total Rotation | Per frame Rotation | Exposure per frame | Used in scaling |
|---|---|---|---|---|---|---|
| data collection | s01f | 115 | 138.0° phi | 1.200° | 24 seconds | Yes |
| data collection | s02f | 113 | 135.6° omega | 1.200° | 24 seconds | Yes |
| Phi/Chi | i01f - i08f | 8 | 20 seconds |
| Zero sigma or profile test | 6890 |
|---|---|
| Overload or incomplete profile | 2295 |
| Sigma cutoff | 534 |
| Scale factor | 10.00 |
|---|---|
| Number of 'full' reflections | 8777 |
| Number of 'partial' reflections | 169511 |
| Total number of integrated reflections | 81221 |
| Total number of unique reflections | 14515 |
| Data completeness | 98.2% |
| Resolution range | 7.00-0.77 A |
| Theta range | 2.91°-27.48° |
| Average Intensity | 1.7 |
| Average Sigma(I) | 0.9 |
| Overall R-merge (linear) | 0.177 |
| Collection Temperature | 120 K |
| Crystal Size | x x |
| Crystal Colour | |
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