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Elucidating polymorphs of crystal structures by intensity-based hierarchical clustering analysis of multiple diffraction data sets
In macromolecular structure determination using X-ray diffraction from multiple crystals, the presence of different structures (structural polymorphs) necessitates the classification of the diffraction data for appropriate structural analysis. Hierarchical clustering analysis (HCA) is a promising te...
Autores principales: | , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10565733/ https://www.ncbi.nlm.nih.gov/pubmed/37747037 http://dx.doi.org/10.1107/S2059798323007039 |