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Acquisition and Analysis of Powder X-Ray Diffraction Data Using CALS Chromatographic Software

Published online by Cambridge University Press:  10 January 2013

Kelly J. Moynihan ,
Richard Proulx  and
Brian K. Windsor
Kelly J. Moynihan*
Affiliation:
Esso Petroleum Canada, Research Department, P. O. Box 3022, Sarnia, Ontario N7T 7M1, Canada
Richard Proulx
Affiliation:
Esso Petroleum Canada, Research Department, P. O. Box 3022, Sarnia, Ontario N7T 7M1, Canada
Brian K. Windsor
Affiliation:
Esso Petroleum Canada, Research Department, P. O. Box 3022, Sarnia, Ontario N7T 7M1, Canada
*
* To whom all correspondence should be addressed
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Abstract

A conventional semi-automated powder X-ray diffractometer that was previously equipped with a strip chart recorder for data acquisition has been interfaced to an HP 1000 minicomputer via an analog-to-digital converter. Data acquisition and analysis is now accomplished using CALS chromatographic software and two in-house-developed FORTRAN 77 computer programs. This has resulted in significant improvements in experimental repeatability and accuracy, decreased sample turn-around times, and rapid and facile analysis, manipulation, and comparison of crystallographic data.

Type
Research Article
Information
Powder Diffraction , Volume 1 , Issue 3 , September 1986 , pp. 222 - 225
Copyright
Copyright © Cambridge University Press 1986

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References

1. CALS Chromatographic Software is a copyrighted product available from: Computer Inquiry Systems Inc. (a subsidiary of Beckman Instruments), 160 Hopper Avenue, Waldwick, New Jersey 07463, U.S.A. CALS, DIGIMETRY, and BMUX are trademarks of Computer Inquiry Systems Inc. Upon signing a non-disclosure agreement and a handling fee ($250 US), Computer Inquiry Systems Inc. will issue a copy of the CALS software source code to individuals/organizations/corporations possessing this software package.Google Scholar
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