Hostname: page-component-cd9895bd7-p9bg8 Total loading time: 0 Render date: 2024-12-27T11:55:13.324Z Has data issue: false hasContentIssue false

Time Share Computer Capability for Phase Identification by X-Ray Diffraction

Published online by Cambridge University Press:  06 March 2019

Andrew M. Wims*
Affiliation:
Analytical Chemistry Department, General Motors Research Laboratories, Warren, MI
Get access

Extract

In the past, we were limited to manual methods for the identification process. Identification was done manually with a data base of reference spectra (in card and search manual format) supplied by the Joint Committee on Powder Diffraction Standards (JCPDS). Most single substances can be identified with relative ease using this approach. But when the number of components gets much beyond two, the measured pattern is a complex composite of sub-patterns which makes the identification a tedious and uncertain process taking 60 to 90 minutes per pattern in most simple cases.

Type
IV. XRD Applications and Automation
Copyright
Copyright © International Centre for Diffraction Data 1982

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1. McClume, W. F., Managing Editor, Powder Diffraction File, JCPDS, International Center for Diffraction Data, Swarthmore, PA. (1981).Google Scholar
2. Hanawalt, J. D., Rinn, S., and Frevel, L. K., Chemical Analysis by X-Ray Diffraction, Ind. Eng. Chem. Anal. Ed., 30:457 (1938),Google Scholar
3. Nichols, M. C. and Johnson, Q., The Search-Match Problem, “Advances in X-ray Analysis,23:273, Rhodes, J. R. et al, eds., Plenum Press, New York (1980).Google Scholar
4. Huang, T. C. and Parrish, W., A New Computer Algorithm for Qualitative X-Ray Powder Diffraction Analysis, “Advances in X-ray Analysis,” 25:213, Russ, J. C. et al, eds., Plenum Press, New York (1982).Google Scholar
5. Snyder, R. L., A Hanawalt Type Phase Identification Procedure for a Minicomputer, “Advances in X-ray Analysis,” 24:83, Smith, D. K. et al, eds., Plenum Press, New York (1981).Google Scholar
6. McCarthy, G. J. and Johnson, G. G., Jr., Identification of Multiphase Unknowns by Computer Methods:Role of Chemical Information, the Quality of X-ray Powder Data and Subfiles, “Advances in X-Ray Analysis,” 22:109, McCarthy, G. J. et al, eds., Plenum Press, New York (1979).Google Scholar
7. Dismore, P. F., Computer Searching in JCPDS Powder Diffraction File, “Advances in X-ray Analysis,” 20:113, McMurdie, H. F. et al., eds., Plenum Press, New York (1977).Google Scholar
8. Johnson, G. G., Jr., User Guide Data Base and Search Program, JCPDS, Swarthmore, PA (1975).Google Scholar