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Computer Program for Deconvoluting Powder Diffraction Spectra

Published online by Cambridge University Press:  10 January 2013

K. E. Wiedemann ,
J. Unnam  and
R. K. Clark
K. E. Wiedemann
Affiliation:
NASA Langley Research Center, Hampton, Virginia 23665-5225
J. Unnam
Affiliation:
NASA Langley Research Center, Hampton, Virginia 23665-5225
R. K. Clark
Affiliation:
NASA Langley Research Center, Hampton, Virginia 23665-5225
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Abstract

A program is presented that removes broadening from X-ray diffraction spectra. An instrumental spectrum can be used to describe empirically the broadening to be removed, or a Gaussian, Cauchy, or Pearson-VII distribution can be used to analytically describe it. In either case, singlet or doublet forms can be generated. The program returns the deconvoluted spectrum, the reconstructed spectrum, and a sum-of-squares difference between the original and reconstructed spectra. Deconvolution is accomplished using a combination of least-squares, background, and smoothing criteria that minimizes the effect of random counting errors.

Type
Research Article
Information
Powder Diffraction , Volume 2 , Issue 3 , September 1987 , pp. 137 - 145
Copyright
Copyright © Cambridge University Press 1987

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References

Gerald, C. F. and Wheatley, P. O. (1984). Applied Numerical Analysis, pp. 99–106. Reading, MA: Addison-Wesley.Google Scholar
Wiedemann, K. E., Unnam, J. and Clark, R. K. (1987). Powder Diffraction 2, 130–136.CrossRefGoogle Scholar
Wylie, C. R. (1975). Advanced Engineering Mathematics, pp. 104–115. New York: McGraw-Hill.Google Scholar