ArticleActa crystallographica. Section D, Structural biology2016
Diffraction-geometry refinement in the DIALS framework.
Article in Acta crystallographica. Section D, Structural biology, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 113 papers.
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Who cites it
113 citing papers in PubMed.
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- Signal-strapping as a protein-sequence search method for the discovery of metalloproteins.Nature communications · 2025Article
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- Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination.IUCrJ · 2025Article
- How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectors.Acta crystallographica. Section C, Structural chemistry · 2025Article
- Structural basis for the rescue of hyperexcitable cells by the amyotrophic lateral sclerosis drug Riluzole.Nature communications · 2024Article
- Laue-DIALS: Open-source software for polychromatic x-ray diffraction data.Structural dynamics (Melville, N.Y.) · 2024Article
- Laue-DIALS: open-source software for polychromatic X-ray diffraction data.bioRxiv : the preprint server for biology · 2024Article
- α-Methylacyl-CoA Racemase fromBiomolecules · 2024Article
- Structural study of UFL1-UFC1 interaction uncovers the role of UFL1 N-terminal helix in ufmylation.EMBO reports · 2023Article
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- Processing macromolecular diffuse scattering data.bioRxiv : the preprint server for biology · 2023Article
- From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.Nature communications · 2023Article
53 more citing papers are in PubMed but not listed here.
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7 authors.
Funding
Abstract
Rapid data collection and modern computing resources provide the opportunity to revisit the task of optimizing the model of diffraction geometry prior to integration. A comprehensive description is given of new software that builds upon established methods by performing a single global refinement procedure, utilizing a smoothly varying model of the crystal lattice where appropriate. This global refinement technique extends to multiple data sets, providing useful constraints to handle the problem of correlated parameters, particularly for small wedges of data. Examples of advanced uses of the software are given and the design is explained in detail, with particular emphasis on the flexibility and extensibility it entails.
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