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Structure Refinement (Solid State Diffraction)
- Source :
- Encyclopedia of Spectroscopy and Spectrometry ISBN: 9780123744135
- Publication Year :
- 2017
- Publisher :
- Elsevier, 2017.
-
Abstract
- The present article is devoted mainly to methods of small-molecule structure refinement against single-crystal diffraction data, offered by widely distributed software and applied to chemical crystallography. The theory of least-squares refinement and maximum likelihood, the use of constraints and restraints, the weighting of the observations, and the estimation of uncertainties of the results are presented.
Details
- ISBN :
- 978-0-12-374413-5
- ISBNs :
- 9780123744135
- Database :
- OpenAIRE
- Journal :
- Encyclopedia of Spectroscopy and Spectrometry ISBN: 9780123744135
- Accession number :
- edsair.doi.dedup.....7d5080a1df1d11eb1c6ddb305d6696d8