Mathematical techniques in Powder diffraction

Mathematical techniques in Powder diffraction

Chemistry online Resources

Pepinsky's Machine, N. M. Glykos. A teaching aid to illustrate the principles and the application of the Fourier series in crystallography

Link - http://utopia.duth.gr/~glykos/pepinsky.html

• "Pepinsky's Machine is free software and you are encouraged to use, copy, modify, and distribute both the program and its documentation (PDF, 1.1 MBytes).


• If you ever need to reference this program in your publications (but note that you are not required -at least by me- to do so), please use the following citation : Glykos, N.M. (1999), "Pepinsky's Machine : an interactive, graphics-based Fourier synthesis program with applications in teaching and research.", J. Appl. Crystallogr., 32, 821-823.
  Electronic reprint (660 KBytes) : Local copy, or directly from J. Appl. Cryst. 32, 821-823, FREE ITEM, Copyright © International Union of Crystallography"[1].
  

1.http://utopia.duth.gr/~glykos/pepinsky.html

Statistical Descriptors in Crystallography, D. Schwarzenbach et al. Reports of a working group appointed by the IUCr Nomenclature Committee

Link - http://ww1.iucr.org/comm/cnom/statdes/preface.html

This document provides an authoratitive 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

Analytical Inorganic Organic Physical

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