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Data analysis infrastructure for Diamond Light Source macromolecular & chemical crystallography and beyond

DOI: 10.18429/JACoW-ICALEPCS2019-WEMPR001 DOI Help

Authors: M. Gerstel (Diamond Light Source) , A. W. Ashton (Diamond Light Source) , R. J. Gildea (Diamond Light Source) , K. E. Levik (Diamond Light Source) , G. Winter (Diamond Light Source)
Co-authored by industrial partner: No

Type: Conference Paper
Conference: ICALEPCS2019
Peer Reviewed: No

State: Published (Approved)
Published: October 2019

Open Access Open Access

Abstract: The Diamond Light Source data analysis infrastructure, Zocalo, is built on a messaging framework. Analysis tasks are processed by a scalable pool of workers running on cluster nodes. Results can be written to a common file system, sent to another worker for further downstream processing and/or streamed to a LIMS. Zocalo allows increased parallelization of computationally expensive tasks and makes the use of computational resources more efficient. The infrastructure is low-latency, fault-tolerant, and allows for highly dynamic data processing. Moving away from static workflows expressed in shell scripts we can easily re-trigger processing tasks in the event that an issue is found. It allows users to re-run tasks with additional input and ensures that automatically and manually triggered processing results are treated equally. Zocalo was originally conceived to cope with the additional demand on infrastructure by the introduction of Eiger detectors with up to 18 Mpixels and running at up to 560 Hz framerate on single crystal diffraction beamlines. We are now adapting Zocalo to manage processing tasks for ptychography, tomography, cryo-EM, and serial crystallography workloads.

Subject Areas: Information and Communication Technology

Technical Areas: Data acquisition , Detectors


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