Pattern-matching indexing of Laue and monochromatic serial crystallography data for applications in materials science.

Journal of Applied Crystallography
Catherine Dejoie, Nobumichi Tamura

Abstract

Serial crystallography data can be challenging to index, as each frame is processed individually, rather than being processed as a whole like in conventional X-ray single-crystal crystallography. An algorithm has been developed to index still diffraction patterns arising from small-unit-cell samples. The algorithm is based on the matching of reciprocal-lattice vector pairs, as developed for Laue microdiffraction data indexing, combined with three-dimensional pattern matching using a nearest-neighbors approach. As a result, large-bandpass data (e.g. 5-24 keV energy range) and monochromatic data can be processed, the main requirement being prior knowledge of the unit cell. Angles calculated in the vicinity of a few theoretical and experimental reciprocal-lattice vectors are compared, and only vectors with the highest number of common angles are selected as candidates to obtain the orientation matrix. Global matching on the entire pattern is then checked. Four indexing options are available, two for the ranking of the theoretical reciprocal-lattice vectors and two for reducing the number of possible candidates. The algorithm has been used to index several data sets collected under different experimental conditions on a series of m...Continue Reading

References

Jul 9, 2003·Proceedings of the National Academy of Sciences of the United States of America·Dominique BourgeoisMaurizio Brunori
Dec 25, 2007·Acta Crystallographica. Section A, Foundations of Crystallography·George M Sheldrick
Jan 9, 2010·Acta Crystallographica. Section D, Biological Crystallography·Sterling CornabyDonald H Bilderback
Feb 5, 2011·Nature·Henry N ChapmanJohn C H Spence
May 8, 2014·Chimia·Bruce D PattersonRafael Abela
Aug 2, 2014·Acta Crystallographica. Section D, Biological Crystallography·Wolfgang Kabsch
Oct 6, 2014·Nature Methods·Briony A YorkeArwen R Pearson
Feb 11, 2015·Acta Crystallographica. Section D, Biological Crystallography·Aaron S BrewsterNicholas K Sauter
May 23, 2015·IUCrJ·Catherine DejoieLynne B McCusker
Apr 6, 2016·Journal of Applied Crystallography·Thomas A WhiteHenry N Chapman
Aug 5, 2016·Acta Crystallographica. Section D, Structural Biology·Helen Mary GinnDavid Ian Stuart
Jul 25, 2017·Trends in Biochemical Sciences·Linda C JohanssonVadim Cherezov
Feb 26, 2014·Chimia·Bruce D PattersonRafael Abela
Mar 4, 2020·Acta Crystallographica. Section A, Foundations and Advances·Yaroslav GevorkovOleksandr Yefanov

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

Related Papers

Indian Journal of Orthopaedics
B V MurlimanjuVasudha V Saralaya
Indian Journal of Orthopaedics
Ish Kumar Dhammi, Rehan Ul Haq
Science
R R Freeman
Tanpakushitsu kakusan koso. Protein, nucleic acid, enzyme
K Kato
Acta Crystallographica. Section A, Foundations and Advances
Adam Morawiec
© 2021 Meta ULC. All rights reserved