Presented by Kate Smith on behalf of the SLS MX Group.
The Swiss Light Source Macromolecular Crystallography Group operates three beamlines (X06SA, X06DA and X10SA) served by an in-house developed distributed DA+ software stack, which supports standard and sophisticated data acquisition and analysis[1,2]. Recent hardware upgrades include the TELL robot with increased dewar capacity and sample exchange speed, new TELL gripper design with pin detection, implementation of the fast fragment- and compound-screening pipeline (FFCS)[4,5], new sample environment top camera and backlight, and the installation of SmarGon+ MCS2 with in-house SmargoPolo controls software and calibration routine.
Recent software developments include the extension of DA+ software microservice architecture, implementation of sample spreadsheet validation in TELL GUI and a user web application, deployment of automated loop centering routines, addition of native-sad merging to automatic data processing, and the migration of our samples database to the cloud. In this talk I will present how the advancements in hardware and software were leveraged in implementing the sophisticated communication and decision making software, Smart Digital User (SDU), for fully automated data collection.
- Wojdyla JA, Kaminski JW, Panepucci E, Ebner S, Wang X, Gabadinho J, et al. DA+ data acquisition and analysis software at the Swiss Light Source macromolecular crystallography beamlines. J Synchrotron Rad. 2018 Jan 1;25(1):293–303.
- Basu S, Kaminski JW, Panepucci E, Huang CY, Warshamanage R, Wang M, et al. Automated data collection and real-time data analysis suite for serial synchrotron crystallography. J Synchrotron Rad. 2019 Jan 1;26(1):244–52.
- Martiel I, Buntschu D, Meier N, Gobbo A, Panepucci E, Schneider R, et al. The TELL automatic sample changer for macromolecular crystallography. J Synchrotron Rad. 2020 May 1;27(3):860–3.
- Kaminski JW, Vera L, Stegmann DP, Vering J, Eris D, Smith KML, et al. Fast fragment- and compound-screening pipeline at the Swiss Light Source. Acta Cryst D. 2022 Mar 1;78(3):328–36.
- Sharpe ME, Wojdyla JA. Fragment-Screening and Automation at the Swiss Light Source Macromolecular Crystallography Beamlines. Nihon Kessho Gakkaishi. 2021 Aug 31;63(3):232–5.
- Smith KM, Panepucci E, Kaminski K, ..., Wojdyla JA. SDU: Software for high throughput automated data collection at the Swiss Light Source. Manuscript in preparation.
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