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XPKFIT: peak separation with arbitrary relations among the component peaks (1981)

Hayakawa, M. ; Oka, M.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 14 (1981), S. 145-148

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ISSN: 1600-5767

Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Topics: Geosciences , Physics

Notes: A computer program for the separation of a composite peak into the components and the background has been written in Fortran. Each component is approximated by a function of the form y(x) = c [1 + ({{x - d}\over{e}})^{2}]^{-f}, where c, d, e and f are the parameters to be determined by a least-squares method. Arbitrary, known or assumed relations among the parameters of different components may be read in to reduce the number of independent parameters and save computation time or, in other cases, to offer a better chance of separating a complex composite peak by varying a subset of the parameters.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1107/S0021889881008984

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