Statistical descriptors in crystallography

Content

This document provides an authoritative statement of the use of statistics in crystallography. The document contains a Glossary of statistical terms and sections on the following topics:

• Basic notions
• Uncertainty of measurement
• Refinement
• Refinement on I, |F|² or |F|?
• Defects in the model
• Weighting schemes
• Recommendations

There is a description of the historical background of the production of this document.

Source

The hypertext document has been made by editing together two separate reports commissioned by the International Union of Crystallography:

• A report published in 1989 written by D. Schwarzenbach, S. C. Abrahams, H. D. Flack, W. Gonschorek, Th. Hahn, K. Huml, R. E. Marsh, E. Prince, B. E. Robertson, J. S. Rollett and A. J. C. Wilson
• A report published in 1995 written by D. Schwarzenbach, S. C. Abrahams, H. D. Flack, E. Prince and A. J. C. Wilson

Your comments

Comments on the statistical and crystallographic content of this document should be sent to Dieter Schwarzenbach at e-mail dieter.schwarzenbach@ic.unil.ch and comments and difficulties concerning the WWW presentation of this text to the Webmaster

Availability

This document is available at URL https://www.iucr.org/resources/commissions/crystallographic-nomenclature/statdes.

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