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Published online by Cambridge University Press: 06 March 2019
With the increasing use of automated powder diffractometers, more and more reliance is being placed on peak searching and α2 stripping software to allocate a wavelength for the calculation of the d-value from the observed peak maxima. The complications in the correct allocation of the wavelength are well known and include problems due to the polychromatic nature of the diffracted X-ray beam, changes in the angular dispersion of the diffractometer over the angular range of the experimental data, and effects of instrument geometric aberrations on the profile shape. Further difficulties may accrue because of idiosyncrasy of the peak searching arid α2 stripping software.