Accessibility navigation

The method of predicate least squares refinement

Mills, I. (1998) The method of predicate least squares refinement. In: Ernesti, A., Hutson, J. M. and Wright, N. J. (eds.) Fashioning a model: optimization methods in chemical physics. Daresbury Laboratories, Warrington, UK. ISBN 0952273640

Full text not archived in this repository.

It is advisable to refer to the publisher's version if you intend to cite from this work. See Guidance on citing.


Parameters to be determined in a least squares refinement calculation to fit a set of observed data may sometimes usefully be `predicated' to values obtained from some independent source, such as a theoretical calculation. An algorithm for achieving this in a least squares refinement calculation is described, which leaves the operator in full control of the weight that he may wish to attach to the predicate values of the parameters.

Item Type:Book or Report Section
Divisions:Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
ID Code:7622
Publisher:Daresbury Laboratories

University Staff: Request a correction | Centaur Editors: Update this record

Page navigation