| Title |
Ultra-High Throughput Automated Macromolecular Crystallography Data Collection Using the Bluesky Framework |
| Authors |
- D.P. Perl, N. Frisina, D.E. Oram, N.P. Paterson
DLS, Oxfordshire, United Kingdom
|
| Abstract |
At Diamond Light Source, several Macromolecular Crystallography (MX) beamlines focus on, or include, completely automated data collection. This is used primarily for high throughput collection on samples with known or partially known structures, for example, screening a protein for drug or drug fragment interactions. The automated data collection routines are currently built on legacy experiment orchestration software which includes a lot of redundancy originally implemented for safety when human users are controlling the beamline, but which is inefficient when the beamline hardware occupies a smaller number of known states. Diamond is building its next generation, service-based, Data Acquisition Platform, Athena, using NSLSII’s Bluesky experiment orchestration library. The Bluesky library facilitates optimising the orchestration of experiment control by simplifying the work necessary to parallelise and reorganise the steps of an experimental procedure. The MX data acquisition team at Diamond is using the Athena platform to increase the possible rate of automated MX data collection both for immediate use and in preparation to take advantage of the upgraded Diamond-II synchrotron, due in several years. This project, named Hyperion, will include sample orientation and centring, fluorescence scanning, optical monitoring, collection strategy determination, and rotation data collection at multiple positions on a single sample pin.
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| Paper |
download THMBCMO34.PDF [1.890 MB / 5 pages] |
| Slides |
download THMBCMO34_TALK.PDF [0.997 MB] |
| Poster |
download THMBCMO34_POSTER.PDF [3.441 MB] |
| Cite |
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※ EndNote |
| Conference |
ICALEPCS2023 |
| Series |
International Conference on Accelerator and Large Experimental Physics Control Systems (19th) |
| Location |
Cape Town, South Africa |
| Date |
09-13 October 2023 |
| Publisher |
JACoW Publishing, Geneva, Switzerland |
| Editorial Board |
Volker RW Schaa (GSI, Darmstadt, Germany); Andy Götz (ESRF, Grenoble, France); Johan Venter (SARAO, Cape Town, South Africa); Karen White (SNS, Oak Ridge, TN, USA); Marie Robichon (ESRF, Grenoble, France); Vivienne Rowland (SARAO, Cape Town, South Africa) |
| Online ISBN |
978-3-95450-238-7 |
| Online ISSN |
2226-0358 |
| Received |
04 October 2023 |
| Revised |
10 October 2023 |
| Accepted |
13 December 2023 |
| Issued/td>
| 19 December 2023 |
| DOI |
doi:10.18429/JACoW-ICALEPCS2023-THMBCMO34 |
| Pages |
1280-1284 |
| Copyright |
 Published by JACoW Publishing under the terms of the Creative Commons Attribution 4.0 International license. Any further distribution of this work must maintain attribution to the author(s), the published article's title, publisher, and DOI. |
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