Title of article
Determination of standard uncertainties in fits to pair distribution functions
Author/Authors
Billinge، S. J. L. نويسنده , , Toby، B. H. نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2004
Pages
-314
From page
315
To page
0
Abstract
Methods are developed to establish the limits of statistical uncertainty for values computed from a pair distribution function (PDF) or models fit to a PDF. This is done by computation of a variance-covariance matrix for the PDF from the uncertainties in the diffraction intensities. The application of this variancecovariance matrix also offers optimal weighting for least-squares refinement.
Keywords
standard uncertainty , pair distribution function , radial distribution function , real-space structure determination , variance-covariance matrix.
Journal title
Acta Crystallographica Section A: Foundations of Crystallography
Serial Year
2004
Journal title
Acta Crystallographica Section A: Foundations of Crystallography
Record number
99185
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