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SDU - software for high-throughput automated data collection at the Swiss Light Source.

Kate Mary Louise SmithEzequiel PanepucciJakub Wojciech KaminskiSylvain AumonierChia Yiang HuangDeniz ErisDominik BuntschuNathalie MeierWayne GlettigKatherine Evelyn McAuleyMeitian WangMay Elizabeth SharpeJustyna Aleksandra Wojdyla
Published in: Journal of synchrotron radiation (2023)
Recent advances in automation have fostered the development of unattended data collection services at a handful of synchrotron facilities worldwide. At the Swiss Light Source, the installation of new high-throughput sample changers at all three macromolecular crystallography beamlines and the commissioning of the Fast Fragment and Compound Screening pipeline created a unique opportunity to automate data acquisition. Here, the DA+ microservice software stack upgrades, implementation of an automatic loop-centering service and deployment of the Smart Digital User (SDU) software for unattended data collection are reported. The SDU software is the decision-making software responsible for communications between services, sample and device safety, sample centering, sample alignment with grid based X-ray diffraction and, finally, data collection.
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