Speaker
Description
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[3], 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[6].
- 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.
| Email address of presenting author | kate.smith@psi.ch |
|---|
