Journal Article

PUBDB-2024-00200

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Data reduction in protein serial crystallography

Galchenkova, M.CFEL*XFEL.EU*DESY* ; Tolstikova, A.XFEL.EU*DESY* ; Klopprogge, B.CFEL*Extern*DESY* ; Sprenger, J.CFEL*DESY* ; Oberthür, D.CFEL*XFEL.EU*DESY* ; Brehm, W.CFEL*XFEL.EU*DESY* ; White, T.CFEL*XFEL.EU*DESY* ; Barty, A.XFEL.EU*DESY* ; Chapman, H. N.CFEL*XFEL.EU*DESY* ; Yefanov, O. (Corresponding author)CFEL*DESY*

2024
[Verlag nicht ermittelbar] Chester

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Please use a persistent id in citations: doi:10.1107/S205225252400054X  doi:10.3204/PUBDB-2024-00200

Abstract: Serial crystallography (SX) has become an established technique for protein structure determination, especially when dealing with small or radiation-sensitive crystals and investigating fast or irreversible protein dynamics. The advent of newly developed multi-megapixel X-ray area detectors, capable of capturing over 1000 images per second, has brought about substantial benefits. However, this advancement also entails a notable increase in the volume of collected data. Today, up to 2 PB of data per experiment could be easily obtained under efficient operating conditions. The combined costs associated with storing data from multiple experiments provide a compelling incentive to develop strategies that effectively reduce the amount of data stored on disk while maintaining the quality of scientific outcomes. Lossless data compression methods are designed to preserve the information content of the data but often struggle to achieve a high compression ratio when applied to experimental data that contains noise. Conversely, lossy compression methods offer the potential to greatly reduce the data volume. Nonetheless, it is vital to thoroughly assess the impact of data quality and scientific outcomes when employing lossy compression, as it inherently involves discarding information. The evaluation of lossy compression effects on data requires proper data quality metrics. In our research, we assess various approaches for both lossless and lossy compression techniques applied to SX data, and equally importantly, we describe metrics suitable for evaluating SX data quality.

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Contributing Institute(s):

1. CFEL-Coherent X-Ray Imaging (FS-CFEL-1)

Research Program(s):

1. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
2. 633 - Life Sciences – Building Blocks of Life: Structure and Function (POF4-633) (POF4-633)

Experiment(s):

1. Experiments at XFEL
2. PETRA Beamline P11 (PETRA III)

Appears in the scientific report 2024

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Database coverage:
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