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A Computer Aided Search/Match System for Qualitative Powder Diffractometry

Published online by Cambridge University Press:  06 March 2019

Ron Jenkins ,
Y. Hahm ,
S. Pearlman  and
W. N. Schreiner
Ron Jenkins
Affiliation:
Philips Electronic Instruments, Inc., Mahwah, New Jersey 07430
Y. Hahm
Affiliation:
Philips Electronic Instruments, Inc., Mahwah, New Jersey 07430
S. Pearlman
Affiliation:
Philips Electronic Instruments, Inc., Mahwah, New Jersey 07430
W. N. Schreiner
Affiliation:
Philips Electronic Instruments, Inc., Mahwah, New Jersey 07430
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Extract

The use of the computer controlled powder diffractometer for the qualitative and quantitative analysis of multi phase powder mixtures is becoming relatively common place, and we ourselves have described in some detail the hardware and software components of typical systems 1,2) of which the AFD 3600 is the latest version 3). Although great success has been achieved in the use of the minicomputer for machine control, data acquisition and display, plus some degree of data workup, less success has been gained in search/matching of unknown powder patterns, although computer programs have been available for a number of years which utilize relatively large computers for automatic search/matching e.g. 4,5) the success with which these programs have been applied has been somewhat disappointing. Much of the difficulty arises from the marginal quality of data in the JCPDS index and from uncertainties in the accuracy of the experimental patterns.

Type
Use of Computers in Powder Diffraction
Information
Advances in X-Ray Analysis , Volume 23: Twenty-Eighth Annual Conference on Applications of X-ray Analysis, July 30 - August 3, 1979 , 1979 , pp. 279 - 285
Copyright
Copyright © International Centre for Diffraction Data 1979

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References

1. Jenkins, R., Haas, D. J. and Paolini, F. R., Norelco Reporter 18:1 (1971).Google Scholar
2. Jenkins, R. and Westberg, R. G., Norelco Reporter 22:7 (1975).Google Scholar
3. Jenkins, R., Hahm, Y., and Pearlman, S., Norelco Reporter 26:1 (1979).Google Scholar
4. Johnson, G. C. and Vand, V., Ind. Eng. Chem. 59:19 (1967).Google Scholar
5. Frevel, L. K., Adams, C. E. and Ruhberg, L. R., J. Appl. Cryst. 9:300 (1976).Google Scholar
6. Jenkins, R., Adv. X-Ray Anal. 20:125 (1976).Google Scholar
7. Jenkins, R. and Hubbard, C. R., Adv. X-Ray Anal. 22:133 (1978).Google Scholar
8. Marquart, R. G. et al. (in press).Google Scholar
9. Heller, S. P., Milne, G. W. A. and Fedmann, R. J., Science 195:253 (1977).Google Scholar
10. Schreiner, W. N. and Jenkins, R., Adv. X-Ray Anal. 23 (1980) this work.Google Scholar