ArticleStructural dynamics (Melville, N.Y.)2020
Best practices for high data-rate macromolecular crystallography (HDRMX).
Article in Structural dynamics (Melville, N.Y.), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed.
- Scotty: lattice coincidences for macromolecular crystallographic phasing.Acta crystallographica. Section D, Structural biology · 2026Article
- Macromolecular crystallography at SPring-8 and SACLA.Journal of synchrotron radiation · 2025Article
- Massive compression for high data rate macromolecular crystallography (HDRMX): impact on diffraction data and subsequent structural analysis.Journal of synchrotron radiation · 2025Article
- Investigation of fast and efficient lossless compression algorithms for macromolecular crystallography experiments.Journal of synchrotron radiation · 2024Article
- Elucidating polymorphs of crystal structures by intensity-based hierarchical clustering analysis of multiple diffraction data sets.Acta crystallographica. Section D, Structural biology · 2023Article
- Approximating lattice similarity.Acta crystallographica. Section A, Foundations and advances · 2023Article
- A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.Acta crystallographica. Section D, Structural biology · 2022Article
- Dynamic Structural Biology Experiments at XFEL or Synchrotron Sources.Methods in molecular biology (Clifton, N.J.) · 2021Review
- Article
- Transactions from the 69th Annual Meeting of the American Crystallographic Association: Data best practices-current state and future needs.Structural dynamics (Melville, N.Y.) · 2020Review
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Authors and funding
10 authors.
Funding
Abstract
In macromolecular crystallography, higher flux, smaller beams, and faster detectors open the door to experiments with very large numbers of very small samples that can reveal polymorphs and dynamics but require re-engineering of approaches to the clustering of images both at synchrotrons and XFELs (X-ray free electron lasers). The need for the management of orders of magnitude more images and limitations of file systems favor a transition from simple one-file-per-image systems such as CBF to image container systems such as HDF5. This further increases the load on computers and networks and requires a re-examination of the presentation of metadata. In this paper, we discuss three important components of this problem-improved approaches to the clustering of images to better support experiments on polymorphs and dynamics, recent and upcoming changes in metadata for Eiger images, and software to rapidly validate images in the revised Eiger format.
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Registered trials
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.