Improved asymmetric peak parameter refinement

Hester, J.R.

doi:10.1107/S0021889813016233

Improved asymmetric peak parameter refinement

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.

Keywords: asymmetric peak parameters; powder diffraction; data analysis.

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	Text file https://doi.org/10.1107/S0021889813016233/ks5355sup1.txt wxMaxima worksheet
	Text file https://doi.org/10.1107/S0021889813016233/ks5355sup2.txt Original published version: revised version of the original standalone FCJ program (this has beeen superseded by ks5355sup6.txt)
	Text file https://doi.org/10.1107/S0021889813016233/ks5355sup6.txt Corrected: revised version of the original standalone FCJ program
	Text file https://doi.org/10.1107/S0021889813016233/ks5355sup3.txt Original published version: function Profval extracted from the LHPM software package (this has beeen superseded by ks5355sup7.txt)
	Text file https://doi.org/10.1107/S0021889813016233/ks5355sup7.txt Corrected: function Profval extracted from the LHPM software package
	Text file https://doi.org/10.1107/S0021889813016233/ks5355sup4.txt Patch for Fityk
	Text file https://doi.org/10.1107/S0021889813016233/ks5355sup5.txt Original published version: Fortran 90 code developed from the revised LHPM code (this has beeen superseded by ks5355sup8.txt)
	Text file https://doi.org/10.1107/S0021889813016233/ks5355sup8.txt Corrected: Fortran 90 code developed from the revised LHPM code

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Improved asymmetric peak parameter refinement

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