CHOOCH: a program for deriving anomalous-scattering factors from X-ray fluorescence spectra
UNSPECIFIED (2001) CHOOCH: a program for deriving anomalous-scattering factors from X-ray fluorescence spectra. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 34 (Part 1). pp. 82-86. ISSN 0021-8898Full text not available from this repository.
A Fortran program CHOOCH, which derives experimental values of the anomalous-scattering factors f " and f' from X-ray fluorescence spectra, is described. The program assumes knowledge of theoretical values for the imaginary term, f ", of the anomalous-scattering factor away from the absorption edge to scale the experimental fluorescence spectrum and thus derive values of f " near the absorption edge, where tabular data are inappropriate. The Kramers-Kronig relation is used to calculate the real part, f', of the anomalous-scattering factor. The program aids the decision-making process in macromolecular crystallographic experiments where optimal wavelength selection is required. Magnitudes of f' and f " at selected wavelengths can later be used as starting values for heavy-atom refinement with crystallographic phasing programs.
|Item Type:||Journal Item|
|Subjects:||Q Science > QD Chemistry|
|Journal or Publication Title:||JOURNAL OF APPLIED CRYSTALLOGRAPHY|
|Publisher:||MUNKSGAARD INT PUBL LTD|
|Official Date:||February 2001|
|Number of Pages:||5|
|Page Range:||pp. 82-86|
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