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Automatically Correcting for Specimen Displacement Error During XRD Search/Match Identification

Published online by Cambridge University Press:  06 March 2019

Walter N. Schreiner
Affiliation:
Philips Laboratories Briarcliff Manor, NY
Ronald Jenkins
Affiliation:
Philips Electronic Instruments Inc. Mahwah, NJ
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Extract

Over the past several years there has been considerable interest in computer search/match programs for qualitative analysis of powder diffraction patterns. This interest has been stimulated by the availability of modern minicomputers supported by relatively inexpensive mass storage devices capable of containing the entire JCPDS (l) data base on line. As the traditional search/match algorithms have been reviewed for possible implementation on the slower speed and restricted memory minicomputers being supplied with today's automated diffractometers, new ideas have emerged for such algorithms. One very extensive set of new algorithms has been developed by our group and these are contained in the SANDMAN search/match/identify program which was described at this conference last year (2). Experience has shown those algorithms to be extremely effective, particularly in handling eases where the presence of systematic errors in the data has precluded the correct analysis by other computerised search/match systems.

Type
VI. XRD Search/Match Procedures and Automation
Copyright
Copyright © International Centre for Diffraction Data 1981

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References

(1) International Centre for Diffraction Data (JCPDS), Swarthmore, PA.Google Scholar
(2) Schreiner, W.N., Surdukowski, C., Jenkins, J., “Qualitative Phase Analysis Using An X-Ray Powder Diffractometer”, Adv. X-Ray Anal., 24, 91 (1981).Google Scholar
(3) The specimens were prepared by Greg McCarthy, N. Dakota State University.Google Scholar