Improved asymmetric peak parameter refinement
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Date
2013-08-01
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Publisher
Wiley-Blackwell
Abstract
New expressions for the calculation of axial asymmetry peak shape parameter derivatives in the Finger, Cox and Jephcoat model [J. Appl. Cryst. (1994), 27, 892-900] are presented. Code utilizing the new expressions shows an improved range of convergence for powder diffraction peak shape refinements, particularly when the parameters are transformed to A = H + S and B = H - S. © 2013, Wiley-Blackwell.
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Keywords
Diffraction, Asymmetry, Data analysis, Refining, Convergence, Shape
Citation
Hester, J.R (2013). Improved asymmetric peak parameter refinement. Journal of Applied Crystallography, 46, 1219-1220. doi:10.1107/S0021889813016233