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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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