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Determination of Patterson group symmetry from sparse multi-crystal data sets in the presence of an indexing ambiguity
- Source :
- Acta Crystallographica. Section D, Structural Biology
- Publication Year :
- 2018
- Publisher :
- International Union of Crystallography (IUCr), 2018.
-
Abstract
- A method is presented to simultaneously resolve the crystal symmetry and indexing ambiguity from sparse data sets.<br />Combining X-ray diffraction data from multiple samples requires determination of the symmetry and resolution of any indexing ambiguity. For the partial data sets typical of in situ room-temperature experiments, determination of the correct symmetry is often not straightforward. The potential for indexing ambiguity in polar space groups is also an issue, although methods to resolve this are available if the true symmetry is known. Here, a method is presented to simultaneously resolve the determination of the Patterson symmetry and the indexing ambiguity for partial data sets.
- Subjects :
- 0301 basic medicine
Diffraction
Computer science
media_common.quotation_subject
Datasets as Topic
03 medical and health sciences
X-Ray Diffraction
Structural Biology
Crystal data
Methods
Polar space
media_common
Patterson group symmetry
Resolution (electron density)
Search engine indexing
Membrane Proteins
Computer Science::Computation and Language (Computational Linguistics and Natural Language and Speech Processing)
Ambiguity
Group symmetry
Research Papers
partial data sets
ComputingMilieux_GENERAL
indexing ambiguity
030104 developmental biology
Symmetry (geometry)
Crystallization
Algorithm
Algorithms
Subjects
Details
- ISSN :
- 20597983
- Volume :
- 74
- Database :
- OpenAIRE
- Journal :
- Acta Crystallographica Section D Structural Biology
- Accession number :
- edsair.doi.dedup.....5f08a1dbe86228bf0b30a2bda3b93e34