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Lists
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
Abstract/Summary
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 |
| URI | https://reading-clone.eprints-hosting.org/id/eprint/7622 |
| Item Type | Book or Report Section |
| Refereed | Yes |
| Divisions | Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry |
| Publisher | Daresbury Laboratories |
| Download/View statistics | View download statistics for this item |
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