Massive compression for high data rate macromolecular crystallography (HDRMX): impact on diffraction data and subsequent structural analysis

New higher-count-rate, integrating, large-area X-ray detectors with framing rates as high as 17400 images per second are beginning to be available. These will soon be used for specialized macromolecular crystallography experiments but will require optimal lossy compression algorithms to enable systems to keep up with data throughput. Some information may be lost. Can we minimize this loss with acceptable impact on structural information? To explore this question, we have considered several approaches: summing short sequences of images, binning to create the effect of larger pixels, use of JPEG-2000 lossy wavelet-based compression, and use of Hcompress, which is a Haar-wavelet-based lossy compression borrowed from astronomy. We also explore the effect of the combination of summing, binning, and Hcompress or JPEG-2000. In each of these last two methods one can specify approximately how much one wants the result to be compressed from the starting file size. These provide particularly effective lossy compressions that retain essential information for structure solution from Bragg reflections.

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Publication Details

Journal
Journal of Synchrotron Radiation
Published
2025-02-06
DOI
https://doi.org/10.1107/s1600577525000396
Citations
1
Primary Topic
Enzyme Structure and Function
Type
article
Field-Weighted Citation Impact
0.52

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article

Massive compression for high data rate macromolecular crystallography (HDRMX): impact on diffraction data and subsequent structural analysis

Jean Jakoncic, Alexei S. Soares, H. J. Bernstein, Kimberly Horvat
1 citations
Journal of Synchrotron Radiation
Enzyme Structure and Function
0.52
article

Massive compression for high data rate macromolecular crystallography (HDRMX): impact on diffraction data and subsequent structural analysis

Jean Jakoncic, Alexei S. Soares, H. J. Bernstein, Kimberly Horvat
article en
1 citations

Abstract

New higher-count-rate, integrating, large-area X-ray detectors with framing rates as high as 17400 images per second are beginning to be available. These will soon be used for specialized macromolecular crystallography experiments but will require optimal lossy compression algorithms to enable systems to keep up with data throughput. Some information may be lost. Can we minimize this loss with acceptable impact on structural information? To explore this question, we have considered several approaches: summing short sequences of images, binning to create the effect of larger pixels, use of JPEG-2000 lossy wavelet-based compression, and use of Hcompress, which is a Haar-wavelet-based lossy compression borrowed from astronomy. We also explore the effect of the combination of summing, binning, and Hcompress or JPEG-2000. In each of these last two methods one can specify approximately how much one wants the result to be compressed from the starting file size. These provide particularly effective lossy compressions that retain essential information for structure solution from Bragg reflections.

Journal of Synchrotron RadiationVol. 32(2)
Brookhaven National Laboratory (US), Fresh Pond Research Institute (US), Stony Brook University (US)
U.S. Department of Energy, National Institutes of Health, Office of Science, National Institute of General Medical Sciences, Basic Energy Sciences, Biological and Environmental Research, Brookhaven National Laboratory
Openalex Percentile: Top 42%
Enzyme Structure and Function
0.52
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Massive compression for high data rate macromolecular crystallography (HDRMX): impact on diffraction data and subsequent structural analysis — Jean Jakoncic, Alexei S. Soares, et al. · Journal of Synchrotron Radiation (2025) | TGRS Research Map | TGRS