Determining Uncertainty in XRD

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  • Thread starter Thread starter hamulcahy
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    Uncertainty Xrd
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SUMMARY

The discussion focuses on measuring uncertainty in X-ray diffraction (XRD) analysis. Key aspects include determining uncertainty in parameters such as the wavelength of incident radiation, unit cell parameters, atomic positions, occupancy of a site, and U_{iso}. Participants emphasize the importance of precise measurement techniques and statistical methods to quantify uncertainty effectively. Tools and methodologies for uncertainty analysis in XRD are essential for accurate results.

PREREQUISITES
  • Understanding of X-ray diffraction (XRD) principles
  • Familiarity with unit cell parameters and atomic positions
  • Knowledge of statistical methods for uncertainty analysis
  • Experience with software tools for XRD data analysis
NEXT STEPS
  • Research methods for calculating uncertainty in XRD measurements
  • Explore software tools for XRD data analysis, such as GSAS or FullProf
  • Learn about statistical techniques for evaluating measurement uncertainty
  • Investigate best practices for reporting uncertainty in scientific publications
USEFUL FOR

This discussion is beneficial for researchers, materials scientists, and crystallographers involved in X-ray diffraction analysis and seeking to enhance the accuracy of their measurements through effective uncertainty quantification.

hamulcahy
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I am new to XRD and want to know the best way to measure uncertainty. Any help would be greatly appreciated.
 
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What are you trying to determine the uncertainty of? wavelength of incident radiation, unit cell parameters, atomic positions, occupancy of a site, U_{iso}?
 

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