Statistical descriptors

Overview

A separate online document Statistical Descriptors in Crystallography, prepared for the International Union of Crystallography, provides an authoritative statement on some aspects of the use of statistics and statistical techniques in crystallography, principally that of least-squares refinement of diffraction data against an atomic model. The following topics are treated:

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

References

• Statistical descriptors in crystallography. http://www.iucr.org/comm/cnom/statdes/preface.html
• Schwarzenbach, D. et al. (1989). Acta Cryst. A45, 63–75. Statistical descriptors in crystallography: Report of the IUCr Subcommittee on Statistical Descriptors
• Schwarzenbach, D. et al. (1995). Acta Cryst. A51, 565–569. Statistical descriptors in crystallography. II. Report of a Working Group on Expression of Uncertainty in Measurement

See also

• Part 8 of International Tables for Crystallography, Volume C