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What are the limitations of PDF analysis using 75 keV energy?

At 75 keV, fluorescence scattering can occur for certain elements, affecting the detector's bright field response. This is particularly notable for:

  • Lanthanides (especially from the second half of the series)
  • Heavy elements like Hf, Ta, W, Re, Os.
 

While this does not significantly impact the high-resolution XRPD data for our setup, it does significantly reduce the usable Qmax for PDF measurements and decreases the accuracy of data normalization. We are working on implementing protocols to improve these cases.

For samples containing these elements, a lower Qmax-inst and Qmax value need to be used to remove enough of the artifact for the rpoly correction to work reasonably. Data still may only be suitable for qualitative analysis.