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Optimization of Stepsize in X-Ray Powder Diffractogram Collection

Published online by Cambridge University Press:  10 January 2013

David G. Cameron  and
Ernest E. Armstrong
David G. Cameron
Affiliation:
The Standard Oil Company, Research & Development Center, 4440 Warrensville Center Road, Cleveland, Ohio 44128, U.S.A.
Ernest E. Armstrong
Affiliation:
The Standard Oil Company, Research & Development Center, 4440 Warrensville Center Road, Cleveland, Ohio 44128, U.S.A.
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Abstract

Fourier transform methods of smoothing and interpolation are applied to X-ray diffraction data. It is shown that, frequently, too small a step size is used. Major gains are to be expected by selection of the optimum step size and use of these methods.

A comparison of Fourier transforms of diffractograms of quartz measured between 67 and 69° 2θ, collected at varying step intervals (0.1 to 0.01° 2θ) was used to illustrate these applications. By examining the Fourier transform of the diffractogram and noting where it decays to die baseline, a reasonable estimate of the optimal step interval can be obtained. In addition, Fourier interpolation can be used to enhance the appearance of the diffractogram, approximating a continuous plot.

Type
Research Article
Information
Powder Diffraction , Volume 3 , Issue 1 , March 1988 , pp. 32 - 38
Copyright
Copyright © Cambridge University Press 1988

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References

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