An alternative to the goodness of fit

Julian Henn
  • Acta Crystallographica Section A Foundations and Advances, October 2016, International Union of Crystallography
  • DOI: 10.1107/s2053273316013206

What is it about?

It is about hte "Goodness of Fit" which is used in Least-Squares procedures as a quality measure of the fit. It is demonstrated, that this quality indicator fails under certain circumstances. These are specified and an alternative to the Goodness of Fit the "alternative Goodness of Fit" is introduced, which gives an unbiased measure of the Goodness of Fit. Note that the agreement factors are also affected, however Acta A didn't want to published the follow up paper, which deals with an alternative agreement factor.

Why is it important?

It is only important when you are interested in Least-Squares refinements without systematic errors.

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