ArticleActa crystallographica. Section A, Foundations and advances2020
Structure-mining: screening structure models by automated fitting to the atomic pair distribution function over large numbers of models.
Article in Acta crystallographica. Section A, Foundations and advances, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
11 citing papers in PubMed.
- Chemical Imaging of Carbide Formation and Its Effect on Alcohol Selectivity in Fischer Tropsch Synthesis on Mn-Doped Co/TiOACS catalysis · 2024Article
- Article
- MLstructureMining: a machine learning tool for structure identification from X-ray pair distribution functions.Digital discovery · 2024Article
- ClusterFinder: a fast tool to find cluster structures from pair distribution function data.Acta crystallographica. Section A, Foundations and advances · 2024Article
- Article
- Machine learning for analysis of experimental scattering and spectroscopy data in materials chemistry.Chemical science · 2023Review
- DeepStruc: towards structure solution from pair distribution function data using deep generative models.Digital discovery · 2023Article
- Structural Analysis of Molecular Materials Using the Pair Distribution Function.Chemical reviews · 2022Review
- Structure determination of organic compounds by a fit to the pair distribution function from scratch without prior indexing.Journal of applied crystallography · 2021Article
- A cloud platform for atomic pair distribution function analysis: PDFitc.Acta crystallographica. Section A, Foundations and advances · 2021Article
- There's no place like real-space: elucidating size-dependent atomic structure of nanomaterials using pair distribution function analysis.Nanoscale advances · 2020Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
Abstract
A new approach is presented to obtain candidate structures from atomic pair distribution function (PDF) data in a highly automated way. It fetches, from web-based structural databases, all the structures meeting the experimenter's search criteria and performs structure refinements on them without human intervention. It supports both X-ray and neutron PDFs. Tests on various material systems show the effectiveness and robustness of the algorithm in finding the correct atomic crystal structure. It works on crystalline and nanocrystalline materials including complex oxide nanoparticles and nanowires, low-symmetry and locally distorted structures, and complicated doped and magnetic materials. This approach could greatly reduce the traditional structure searching work and enable the possibility of high-throughput real-time auto-analysis PDF experiments in the future.
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Registered trials
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