On the least‐squares determination of lattice dimensions: a modified singular value decomposition approach to ill‐conditioned cases
作者:
U. Anselmi‐Tamburini,
G. Spinolo,
期刊:
Journal of Applied Crystallography
(WILEY Available online 1993)
卷期:
Volume 26,
issue 1
页码: 5-8
ISSN:1600-5767
年代: 1993
DOI:10.1107/S0021889892006010
出版商: International Union of Crystallography
数据来源: WILEY
摘要:
A modification is described of the singular value decomposition (SVD) method suitable for underdetermined linear least squares (LLS). When a set of data to be fitted is incomplete and does not allow an independent determination of all model parameters, the modified method automatically merges a previously available approximate solution into the LLS results. The solution so produced is more appropriate to the particular problem than the usual SVD solution, while still being a LLS estimate of the whole set of parameters. The method is discussed with reference to the LLS determination of unit‐cell dimensions during the step‐by‐step assignment ofh,k,lindices of a diffraction pa
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