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A Versatile Minicomputer X-Ray Search/Match System

Published online by Cambridge University Press:  06 March 2019

W. Parrish ,
G. L. Ayers  and
T. C. Huang
W. Parrish
Affiliation:
IBM Research Laboratory San Jose, California 95193
G. L. Ayers
Affiliation:
IBM Research Laboratory San Jose, California 95193
T. C. Huang
Affiliation:
IBM Research Laboratory San Jose, California 95193
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Abstract

The operation of a new polycrystalline phase identification method using the IBM Series/1 minicomputer is described. Data of the unknown can be entered by automatic transfer of previous runs, stored data sets and manually. Full screen menu selections are provided to facilitate operations and correct entries. Typical S/M time for a multi-phase inorganic mixture containing 43 reflections using a 0.3° window averaged 11 sec per 100 standards and with simple chemical prescreening less than 4 sec including program initialization and calculations of comprehensive figures of merit. Interactive options provide graphics terminal comparison of the unknown pattern with selected standards which appear as diffractometer patterns, subtraction of identified standards from the unknown and others. Utility programs permit storing data sets for later analysis, user created files and a program to display any file standard as a diffractometer pattern.

Type
VI. XRD Search/Match Procedures and Automation
Information
Advances in X-Ray Analysis , Volume 25: Thirtieth Annual Conference on Applications of X-ray Analysis, August 3-7, 1981 , 1981 , pp. 221 - 229
Copyright
Copyright © International Centre for Diffraction Data 1981

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References

1. Huang, T. C. and Parrish, W., A New Computer Algorithm for X-Ray Powder Diffraction Analysis, Adv. in X-Ray Anal. 25 (previous paper) (1982).Google Scholar
2. Parrish, W., Ayers, G. L. and Huang, T. C., A Minicomputer and Methodology for X-Ray Analysis, Adv. in X-Ray Anal. 23:313-316 (1980).Google Scholar
3. Parrish, W., Advances in Computerized X-Ray Diffractometry and X-Ray Analysis, Adv. in X-Ray Chemical Anal. Japan 12:33-50 (1980).Google Scholar
4. Ayers, G. L., Huang, T. C. and Parrish, W., High-Speed X-Ray Analysis, Jour. Appl. Cryst. 11:229-233 (1978).Google Scholar
5. Parrish, W. and Huang, T. C., Accuracy of the Profile Fitting Method for X-Ray Polycrystalline Diffraction, Proc. Symp. on Accuracy in Powder Diffraction, NBS Special Publ. 567:95-110 (1980).Google Scholar