Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones |
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| Authors: | J Henn |
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| Affiliation: | Fakult?t I, Universit?t Bayreuth, Bayreuth, Germany |
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| Abstract: | In this review the state of the art in metrics for single crystal diffraction data and suggested new developments are described. The focus is on how these metrics can help or prevent not only to describe the data but also to give hints towards unresolved modelling problems, identifying systematic errors and their sources. |
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| Keywords: | Fit data quality single crystal diffraction Goodness of Fit agreement factors |
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