ICALEPCS2023 - List of Authors (Oram, D.E.)

Paper	Title	Page
THMBCMO34	Ultra-High Throughput Automated Macromolecular Crystallography Data Collection Using the Bluesky Framework	1280
	D.P. Perl, N. Frisina, D.E. Oram, N.P. Paterson DLS, Oxfordshire, United Kingdom
	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.
	Slides THMBCMO34 [1.002 MB]
	Poster THMBCMO34 [3.445 MB]
DOI •	reference for this paper ※ doi:10.18429/JACoW-ICALEPCS2023-THMBCMO34
About •	Received ※ 04 October 2023 — Revised ※ 10 October 2023 — Accepted ※ 13 December 2023 — Issued ※ 19 December 2023
Cite •	reference for this paper using ※ BibTeX, ※ LaTeX, ※ Text/Word, ※ RIS, ※ EndNote (xml)

Paper

Title

Page

Ultra-High Throughput Automated Macromolecular Crystallography Data Collection Using the Bluesky Framework

1280

D.P. Perl, N. Frisina, D.E. Oram, N.P. Paterson
DLS, Oxfordshire, United Kingdom

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.

Slides THMBCMO34 [1.002 MB]

Poster THMBCMO34 [3.445 MB]

DOI •

reference for this paper ※ doi:10.18429/JACoW-ICALEPCS2023-THMBCMO34

About •

Received ※ 04 October 2023 — Revised ※ 10 October 2023 — Accepted ※ 13 December 2023 — Issued ※ 19 December 2023

Cite •

reference for this paper using ※ BibTeX, ※ LaTeX, ※ Text/Word, ※ RIS, ※ EndNote (xml)