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Searching and Matching of X-Ray Powder Diffraction Patterns Using a Programmable Calculator

Published online by Cambridge University Press:  10 January 2013

Milan Škrobian ,
Tomas Havlik  and
Milan Havlik
Milan Škrobian
Affiliation:
Department of Non-Ferrous Metallurgy, Metallurgical Faculty of the Technical University, Kosice, Czechoslovakia
Tomas Havlik
Affiliation:
Department of Non-Ferrous Metallurgy, Metallurgical Faculty of the Technical University, Kosice, Czechoslovakia
Milan Havlik
Affiliation:
Research Laboratory of Metallic Materials, Technical University, Kosice, Czechoslovakia
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Abstract

A simple, practical search/match program, RIFRAN 85, has been written and implemented for the EMG 666B programmable calculator. The computer programs are written in EMG Assembler, which is identical to the assembler language for the Hewlett-Packard 9821 calculator. The EMG 666B is made in Hungary and has 8 kbytes of operational memory. The programs interactively provide qualitative phase analysis of X-ray powder diffraction patterns using standard files collected from published data and stored on a compact magnetic tape cassette. Each standard pattern can comprise up to 35 two-theta — intensity pairs. The identification procedure is based on the comparison of the diffraction data of the standard and of the unknown within limits imposed by user-established match and chemical criteria. This paper describes the algorithm used and the performance of the RIFRAN 85 identification system. The system's operation is illustrated using an example of phase analysis of a mineral sample.

Type
Research Article
Information
Powder Diffraction , Volume 1 , Issue 3 , September 1986 , pp. 235 - 239
Copyright
Copyright © Cambridge University Press 1986

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