1440° (4 turn) data set from cubic insulin, with slight radiation damage
<p>X-ray diffraction data set recorded on beamline i03 at Diamond Light Source, as part of a training workshop. Data were collected from a cubic insulin crystal prepared following standard methods with an Eiger 2XE 16M detector at 250Hz.</p> <p> </p> <p>Data Collection Parameters</p> <table> <tbody> <tr> <td>Wavelength</td> <td>1.2399Å</td> </tr> <tr> <td>Oscillation angle</td> <td>0.1°</td> </tr> <tr> <td>Nominal resolution (inscribed circle)</td> <td>1.5</td> </tr> <tr> <td>Total rotation</td> <td>1440°</td> </tr> <tr> <td>Nominal flux</td> <td>5e11 ph/s</td> </tr> <tr> <td>Beam size</td> <td>80x20µm</td> </tr> </tbody> </table> <p> </p> <p>Merging stats from xia2 / DIALS automated online processing</p> <pre>For mx30951v8/xins162/SAD Overall Low High High resolution limit 1.32 3.58 1.32 Low resolution limit 54.95 55.00 1.34 Completeness 98.7 100.0 83.3 Multiplicity 132.9 152.8 33.7 I/sigma 41.7 200.6 0.4 Rmerge(I) 0.072 0.044 4.027 Rmerge(I+/-) 0.071 0.043 3.977 Rmeas(I) 0.072 0.044 4.088 Rmeas(I+/-) 0.071 0.044 4.094 Rpim(I) 0.006 0.004 0.675 Rpim(I+/-) 0.008 0.005 0.940 CC half 1.000 1.000 0.360 Wilson B factor 19.890 Anomalous completeness 98.4 100.0 79.3 Anomalous multiplicity 69.1 84.3 17.7 Anomalous correlation 0.760 0.646 -0.050 Anomalous slope 0.613 dF/F 0.026 dI/s(dI) 1.013 Total observations 2426172 151841 26018 Total unique 18257 994 772 Assuming spacegroup: I 2 3 Unit cell (with estimated std devs): 77.71580(7) 77.71580(7) 77.71580(7) 90.0 90.0 90.0 </pre> <p> </p> <p>Data are made available for any purpose including methods developers trying to optimize their software for higher multiplicity data sets. </p>
ShareScore
40/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 8
- Harmonization
- 4
- Access
- 20
- Reuse readiness
- 8
- Engagement
- 0