Paper Title:
Robust Refinement as Implemented in TOPAS
  Abstract

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, 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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