Hostname: page-component-cd9895bd7-q99xh Total loading time: 0 Render date: 2024-12-26T08:44:53.907Z Has data issue: false hasContentIssue false
  • English
  • Français

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.
Get access Rights & Permissions [Opens in a new window]

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

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Bracewell, R. N. (1978). The Fourier Transform And Its Applications. New York: McGraw-Hill.Google Scholar
Kauppinen, J. K. (1984). Appl. Spectrosc. 38, 778–781.CrossRefGoogle Scholar
Kauppinen, J. K., Moffatt, D. J., Mantsch, H. H. & Cameron, D. G. (1982). Appl. Opt. 21, 1866–1872.CrossRefGoogle Scholar
Robinson, E. A. (1980). Physical Applications Of Stationary Time Series. New York: Macmillan.Google Scholar
Wilson, P. D. & Wilson, T. H. (1976). Appl. Spectrosc. Rev. 12, 1–81.CrossRefGoogle Scholar