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A Versatile Minicomputer X-Ray Search/Match System

  • W. Parrish (a1), G. L. Ayers (a1) and T. C. Huang (a1)

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.

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References

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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).
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).
3. Parrish, W., Advances in Computerized X-Ray Diffractometry and X-Ray Analysis, Adv. in X-Ray Chemical Anal. Japan 12:33-50 (1980).
4. Ayers, G. L., Huang, T. C. and Parrish, W., High-Speed X-Ray Analysis, Jour. Appl. Cryst. 11:229-233 (1978).10.1107/S0021889878013217
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).
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Powder Diffraction
  • ISSN: -
  • EISSN: 2631-3626
  • URL: /core/journals/powder-diffraction
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