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CAPOW: a standalone program for the calculation of optimal weighting parameters for least-squares crystallographic refinements

The rigorous analysis of crystallographic models, refined through the use of least-squares minimization, is founded on the expectation that the data provided have a normal distribution of residuals. Processed single-crystal diffraction data rarely exhibit this feature without a weighting scheme bein...

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Detalles Bibliográficos
Autores principales: Johnson, Natalie T., Ott, Holger, Probert, Michael R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5822994/
https://www.ncbi.nlm.nih.gov/pubmed/29507551
http://dx.doi.org/10.1107/S1600576717016600