EPSRC National Crystallography Service |
Data Collection Summary kccd1 (dellboy) |
Symmetry used in scalepack | p1 |
---|---|
a (Angstrom) | 8.9934 +/- 0.0010 |
b (Angstrom) | 10.0238 +/- 0.0011 |
c (Angstrom) | 10.5796 +/- 0.0012 |
alpha (°) | 97.045 +/- 0.003 |
beta (°) | 107.440 +/- 0.003 |
gamma (°) | 116.265 +/- 0.004 |
Volume (A**3) | 778.79 +/- 0.16 |
Mosaicity (°) | 1.378 +/- 0.003 |
Total number of images collected | 961 |
---|---|
Total exposure time | 10.7 hours |
Data collection exposure time | 10.7 hours |
Data collection wall-clock time | 11.9 hours |
Wavelength | 0.71073 A |
---|---|
Crystal to detector distance | 50.00 mm |
Type | Name | # images | Total Rotation | Per frame Rotation | Exposure per frame | Used in scaling |
---|---|---|---|---|---|---|
data collection | s01f | 363 | 363.0° phi | 1.000° | 40 seconds | Yes |
data collection | s02f | 75 | 75.0° omega | 1.000° | 40 seconds | Yes |
data collection | s03f | 77 | 77.0° omega | 1.000° | 40 seconds | Yes |
data collection | s04f | 138 | 138.0° omega | 1.000° | 40 seconds | Yes |
data collection | s05f | 74 | 74.0° omega | 1.000° | 40 seconds | Yes |
data collection | s06f | 88 | 88.0° omega | 1.000° | 40 seconds | Yes |
data collection | s07f | 138 | 138.0° omega | 1.000° | 40 seconds | Yes |
Phi/Chi | i01f - i08f | 8 | 25 seconds |
Rejected | 1 |
---|---|
Zero sigma or profile test | 18 |
Overload or incomplete profile | 294 |
Sigma cutoff | 521 |
High resolution limit | 522 |
Scale factor | 10.00 |
---|---|
Number of 'full' reflections | 0 |
Number of 'partial' reflections | 13412 |
Total number of integrated reflections | 11486 |
Total number of unique reflections | 3473 |
Data completeness | 99.7% |
Resolution range | 7.00-0.77 A |
Theta range | 2.91°-27.48° |
Average Intensity | 75.0 |
Average Sigma(I) | 3.4 |
Overall R-merge (linear) | 0.183 |
  Group   | Service   |
---|---|
  Operator   | Sam Callear   |
  Sample Owner   | Dr J Spencer   |
  Local Code   | HP121   |
  Formula   |   |
  Crystal Colour   | Colourless   |
  Crystal Habit   | Block   |
  Crystal Size   | 0.07 x 0.04 x 0.01 (mm3)  |
  Temperature   | 120(K)  |
  Generator   | 50 (kV)   85 (mA)  |
  Primary Solvent   |   |
  Other Solvents   |   |