ArticleActa crystallographica. Section D, Biological crystallography2013
New Python-based methods for data processing.
Article in Acta crystallographica. Section D, Biological crystallography, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 74 papers.
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Who cites it
74 citing papers in PubMed.
- Advances in Crystallography and Cryo-Electron Microscopy for the Study of Membrane Proteins.Advances in experimental medicine and biology · 2026Review
- Semi-automated modeling of reaction states in time-resolved serial femtosecond crystallography using molecular dynamics sampled conformations.Structural dynamics (Melville, N.Y.) · 2025Article
- Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes.Science advances · 2025Article
- Article
- Power Density Titration of Reversible Photoisomerization of a Fluorescent Protein Chromophore in the Presence of Thermally Driven Barrier Crossing Shown by Quantitative Millisecond Serial Synchrotron X-ray Crystallography.Journal of the American Chemical Society · 2024Article
- Bragg Spot Finder (BSF): a new machine-learning-aided approach to deal with spot finding for rapidly filtering diffraction pattern images.Journal of applied crystallography · 2024Article
- Real-Time XFEL Data Analysis at SLAC and NERSC: a Trial Run of Nascent Exascale Experimental Data Analysis.Concurrency and computation : practice & experience · 2024Article
- Oxygen-evolving photosystem II structures during SNature · 2024Article
- ExaFEL: extreme-scale real-time data processing for X-ray free electron laser science.Frontiers in high performance computing · 2024Article
- In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.Journal of the American Chemical Society · 2023Article
- Serial femtosecond crystallography.Nature reviews. Methods primers · 2022Article
- De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.Nature communications · 2022Article
- DIALS as a toolkit.Protein science : a publication of the Protein Society · 2022Article
- Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.Scientific reports · 2021Article
- X-ray free-electron laser studies reveal correlated motion during isopenicillinScience advances · 2021Article
- Discerning best practices in XFEL-based biological crystallography - standards for nonstandard experiments.IUCrJ · 2021Review
- Capturing structural changes of the SIUCrJ · 2021Article
- FMX - the Frontier Microfocusing Macromolecular Crystallography Beamline at the National Synchrotron Light Source II.Journal of synchrotron radiation · 2021Article
- Beyond integration: modeling every pixel to obtain better structure factors from stills.IUCrJ · 2020Article
- Current status and future opportunities for serial crystallography at MAX IV Laboratory.Journal of synchrotron radiation · 2020Article
14 more citing papers are in PubMed but not listed here.
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Authors and funding
4 authors.
Funding
Abstract
Current pixel-array detectors produce diffraction images at extreme data rates (of up to 2 TB h(-1)) that make severe demands on computational resources. New multiprocessing frameworks are required to achieve rapid data analysis, as it is important to be able to inspect the data quickly in order to guide the experiment in real time. By utilizing readily available web-serving tools that interact with the Python scripting language, it was possible to implement a high-throughput Bragg-spot analyzer (cctbx.spotfinder) that is presently in use at numerous synchrotron-radiation beamlines. Similarly, Python interoperability enabled the production of a new data-reduction package (cctbx.xfel) for serial femtosecond crystallography experiments at the Linac Coherent Light Source (LCLS). Future data-reduction efforts will need to focus on specialized problems such as the treatment of diffraction spots on interleaved lattices arising from multi-crystal specimens. In these challenging cases, accurate modeling of close-lying Bragg spots could benefit from the high-performance computing capabilities of graphics-processing units.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.