ArticleActa crystallographica. Section D, Biological crystallography2009
Autoindexing the diffraction patterns from crystals with a pseudotranslation.
Article in Acta crystallographica. Section D, Biological crystallography, 2009. 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.
- Robust error calibration for serial crystallography.Acta crystallographica. Section D, Structural biology · 2025Article
- Ontogenetic variability in crystallography and mosaicity of conodont apatite: implications for microstructure, palaeothermometry and geochemistry.Royal Society open science · 2020Article
- XGANDALF - extended gradient descent algorithm for lattice finding.Acta crystallographica. Section A, Foundations and advances · 2019Article
- Challenge data set for macromolecular multi-microcrystallography.Acta crystallographica. Section D, Structural biology · 2019Article
- Tightly integrated single- and multi-crystal data collection strategy calculation and parallelized data processing inJournal of applied crystallography · 2014Article
- Purification, crystallization and room-temperature X-ray diffraction of inositol dehydrogenase LcIDH2 from Lactobacillus casei BL23.Acta crystallographica. Section F, Structural biology communications · 2014Article
- Autoindexing diffraction images with iMosflm.Acta crystallographica. Section D, Biological crystallography · 2013Article
- A new generation of crystallographic validation tools for the protein data bank.Structure (London, England : 1993) · 2011Article
- The JCSG high-throughput structural biology pipeline.Acta crystallographica. Section F, Structural biology and crystallization communications · 2010Article
- Autoindexing with outlier rejection and identification of superimposed lattices.Journal of applied crystallography · 2010Article
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2 authors.
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Abstract
Rotation photographs can be readily indexed if enough candidate Bragg spots are identified to properly sample the reciprocal lattice. However, while automatic indexing algorithms are widely used for macromolecular data processing, they can produce incorrect results in special situations where a subset of Bragg spots is systematically overlooked. This is a potential outcome in cases where a noncrystallographic translational symmetry operator closely mimics an exact crystallographic translation. In these cases, a visual inspection of the diffraction image will reveal alternating strong and weak reflections. However, reliable detection of the weak-intensity reflections by software requires a systematic search for a diffraction signal targeted at specific reciprocal-space locations calculated a priori by considering all possible pseudotranslations. Care must be exercised to distinguish between true lattice diffraction and spurious signals contributed by neighboring overlapping Bragg spots, non-Bragg diffraction and noise. Such procedures have been implemented within the autoindexing program LABELIT and applied to known cases from publicly available data sets. Routine use of this type of signal search adds only a few seconds to the typical run time for autoindexing. The program can be downloaded from http://cci.lbl.gov/labelit.
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