More about residual values

The usual residual values are complemented by expectation values based solely on the experimental data and the number of model parameters. These theoretical R values serve as benchmark values when all of the basic assumptions for a least‐squares refinement, i.e. no systematic errors and a fully adeq...

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Veröffentlicht in:	Acta crystallographica. Section A, Foundations of crystallography Foundations of crystallography, 2013-11, Vol.69 (6), p.549-558
Hauptverfasser:	Henn, Julian, Schönleber, Andreas
Format:	Artikel
Sprache:	eng
Schlagworte:	Benchmarking Crystallography data-quality indicators Deviation Experimental data fit-quality indicators Least squares method Mathematical models Origins quality indicators Systematic errors theoretical residual values Value analysis Weighting
Online-Zugang:	Volltext
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