How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectors Article Swipe
A. Vypritskaia
,
Xiaodong Zou
,
Taimin Yang
,
David G. Waterman
·
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.1107/s2053229624011148
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.1107/s2053229624011148
The DIALS package provides a set of tools for crystallographic data processing. The open-source nature of the project, and a flexible interface in which individual command-line programs each have a dedicated job, have enabled the adaptation of DIALS to a wide range of experiment types, including electron diffraction. Here we present detailed instructions for the use of DIALS to process chemical crystallography diffraction data from continuous rotation electron diffraction experiments. We demonstrate processing and structure solution from three different samples from three different instruments, including two commercial instruments dedicated to electron diffraction. Each instrument has a pixel array detector, allowing low-noise data to be obtained, resulting in high quality structures. Various new features were added to DIALS to simplify the workflow for these use cases. These are described in detail, along with useful program options for electron diffraction work.
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- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1107/s2053229624011148
- OA Status
- hybrid
- Cited By
- 3
- References
- 34
- Related Works
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- OpenAlex ID
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https://openalex.org/W4405125287Canonical identifier for this work in OpenAlex
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https://doi.org/10.1107/s2053229624011148Digital Object Identifier
- Title
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How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectorsWork title
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articleOpenAlex work type
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enPrimary language
- Publication year
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2024Year of publication
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2024-12-06Full publication date if available
- Authors
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A. Vypritskaia, Xiaodong Zou, Taimin Yang, David G. WatermanList of authors in order
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https://doi.org/10.1107/s2053229624011148Publisher landing page
- Open access
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YesWhether a free full text is available
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hybridOpen access status per OpenAlex
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https://doi.org/10.1107/s2053229624011148Direct OA link when available
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Diffraction, Detector, Computer science, Rotation (mathematics), Workflow, Pixel, Electron diffraction, Process (computing), Noise (video), Set (abstract data type), Optics, Physics, Image (mathematics), Artificial intelligence, Operating system, Database, Telecommunications, Programming languageTop concepts (fields/topics) attached by OpenAlex
- Cited by
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3Total citation count in OpenAlex
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2025: 3Per-year citation counts (last 5 years)
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10Other works algorithmically related by OpenAlex
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