CELLOPT: improved unit-cell parameters for electron diffraction data of small-molecule crystals

Electron diffraction enables structure determination of organic small molecules using crystals that are too small for conventional X-ray crystallography. However, because of uncertainties in the experimental parameters, notably the detector distance, the unit-cell parameters and the geometry of the...

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Detalles Bibliográficos
Autores principales: Gruene, Tim, Clabbers, Max T. B., Luebben, Jens, Chin, Jia Min, Reithofer, Michael R., Stowasser, Frank, Alker, André M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Computer Programs
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9172032/
https://www.ncbi.nlm.nih.gov/pubmed/35719299
http://dx.doi.org/10.1107/S160057672200276X

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9172032/
https://www.ncbi.nlm.nih.gov/pubmed/35719299
http://dx.doi.org/10.1107/S160057672200276X

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