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Using Digitised X-Ray Powder Diffraction Scans as Input for a New Pc-At Search/Match Program

Published online by Cambridge University Press:  06 March 2019

P. Caussin ,
J. Nusinovici  and
D.W. Beard
P. Caussin
Affiliation:
SOCABIM, 9 bis villa du Bel-Air 75012 Paris, France
J. Nusinovici
Affiliation:
SOCABIM, 9 bis villa du Bel-Air 75012 Paris, France
D.W. Beard
Affiliation:
Siemens Energy & Automation, Analytical Systems PO Box 5477, Cherry Hill, NJ 08034, U.S.A.
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Abstract

A Search/Matcti program lias 'beea written for the IBM PC AT computer that is capable of -using "background - subtracted, digitized 2-ray powder diffraction scans as inputs in addition to the d/I data traditionally used. This novel procedure has proved especially effective when numerous unresolved lines are present in the pattern. The method is also less demanding of data quality thaii the peak location programs. The program may he extended to searching & data "base of digitized standard patterns.

The program, has several parameters that can- "be adjusted, including chemistry. The results from the Johnson/Vand list type of output are directly accessible to the interactive graphics program. This gives the diffraction!st a fast method for verifying the phase identification. Because of the speed of fixed point computation techniques, the 52,791 pattern file can be scanned in about 90 seconds.

This paper will illustrate the utility of the program.

Type
VI. XRD Techniques, Instrumentation and P.C. Applications
Information
Advances in X-Ray Analysis , Volume 31: Thirty-Sixth Annual Conference on Applications of X-ray Analysis, August 3-7, 1987 , 1987 , pp. 423 - 430
Copyright
Copyright © International Centre for Diffraction Data 1987

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References

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