Content area

Abstract

We report the use of streaming data interfaces to perform fully online data processing for serial crystallography experiments, without storing intermediate data on disk. The system produces Bragg reflection intensity measurements suitable for scaling and merging, with a latency of less than 1 s per frame. Our system uses the CrystFEL software in combination with the ASAP::O data framework. In a series of user experiments at PETRA III, frames from a 16 megapixel Dectris EIGER2 X detector were searched for peaks, indexed and integrated at the maximum full-frame readout speed of 133 frames per second. The computational resources required depend on various factors, most significantly the fraction of non-blank frames ('hits'). The average single-thread processing time per frame was 242 ms for blank frames and 455 ms for hits, meaning that a single 96-core computing node was sufficient to keep up with the data, with ample headroom for unexpected throughput reductions. Further significant improvements are expected, for example by binning pixel intensities together to reduce the pixel count. We discuss the implications of real-time data processing on the 'data deluge' problem from recent and future photon-science experiments, in particular on calibration requirements, computing access patterns and the need for the preservation of raw data.

Details

1009240
Title
Real-time data processing for serial crystallography experiments
Publication title
IUCrJ; Chester
Volume
12
Issue
1
Source details
Part 1
Pages
97-108
Publication year
2025
Publication date
Jan 2025
Section
Research Papers
Publisher
International Union of Crystallography
Place of publication
Chester
Country of publication
United Kingdom
Publication subject
e-ISSN
20522525
Source type
Scholarly Journal
Language of publication
English
Document type
Journal Article
Publication history
 
 
Online publication date
2025-01-01
Milestone dates
2024-02-14 (Received); 2024-12-05 (Accepted)
Publication history
 
 
   First posting date
01 Jan 2025
ProQuest document ID
3171851315
Document URL
https://www.proquest.com/scholarly-journals/real-time-data-processing-serial-crystallography/docview/3171851315/se-2?accountid=208611
Copyright
© 2025. This work is published under https://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.
Last updated
2025-03-02
Database
ProQuest One Academic