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Computer Search/Match of Standards Containing a Small Number of Reflections†

Published online by Cambridge University Press:  06 March 2019

T. C. Huang ,
W. Parrish  and
B. Post
T. C. Huang
Affiliation:
IBM Research Laboratory, San Jose, California 95193
W. Parrish
Affiliation:
IBM Research Laboratory, San Jose, California 95193
B. Post
Affiliation:
Polytechnic Institute of New York, Brooklyn, NY 11201
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Abstract

A simplified and effective computer Search/Match method is described in which no more than 12 largest d-value reflections regardless of intensities are used for the Powder Diffraction File standards. A quantitative procedure utilizing the figure-of-merit in the IBM Search/Match method was employed to show the applicability to inorganic, mineral and organic mixtures. The analyses gave the same results as the complete File but the standard databases and analysis time are reduced by about a factor of two. Search/Match without using intensities also gave the same results; this may be useful when instrument geometry and/or preferred orientation cause large errors in the relative intensities. The error limits in measuring the d-spacings were found to vary from ±0.1° to 0.5° (26) depending on the degree of overlaps.

Type
II. Search/Match Procedures, Powder Diffraction File
Information
Advances in X-Ray Analysis , Volume 26: Thirty-First Annual Conference on Applications of X-ray Analysis, August 1-6, 1982 , 1982 , pp. 93 - 98
Copyright
Copyright © International Centre for Diffraction Data 1982

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Footnotes

†

Part of this work was presented at the ACA meeting, NBS, March 1982.

References

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