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Structure-mining: screening structure models by automated fitting to the atomic pair distribution function over large numbers of models
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 hu...
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| Publicat a: | Acta Crystallogr A Found Adv |
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| Autors principals: | , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
International Union of Crystallography
2020
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7233026/ https://ncbi.nlm.nih.gov/pubmed/32356790 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2053273320002028 |
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