Robust Refinement as Implemented in TOPAS

Abstract:

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A robust refinement procedure is implemented in the program TOPAS through an iterative reweighting of the data. Examples are given of the procedure as applied to fitting partially overlapped peaks by full and partial models and also of the structures of ibuprofen and acetaminophen in the presence of unmodeled impurity contributions.

Info:

Periodical:

Edited by:

Paolo Scardi and Robert E. Dinnebier

Pages:

27-36

DOI:

10.4028/www.scientific.net/MSF.651.27

Citation:

K. H. Stone and P.W. Stephens, "Robust Refinement as Implemented in TOPAS", Materials Science Forum, Vol. 651, pp. 27-36, 2010

Online since:

May 2010

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Price:

$35.00

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