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IDENT - A Versatile Microfile-Based System for Fast Interactive XRPD Phase Analysis

Published online by Cambridge University Press:  06 March 2019

Barbara A. Jobst  and
Herbert E. Göbel
Barbara A. Jobst
Affiliation:
Forschungslaboratorien der Siemens AG D 8000 Munchen 83, West Germany
Herbert E. Göbel
Affiliation:
Forschungslaboratorien der Siemens AG D 8000 Munchen 83, West Germany
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Abstract

A minicomputer program system for phase Identifications in x-ray powder diffraction is described. The routines written in FORTRAN comprise the users’ special purpose standard-file management (creation of microfiles from the complete JCPDS-data base or own standards, as well as utility routines for corrections, supplements and bookkeeping) and the measured data processing, including raw data acceptance, data reduction by two selectable peak-search routines (trendoriented or 2nd derivative) and an exhaustive search/match procedure through selected microfiles. The data reduction and analysis programs have manifold graphical displays allowing manual interference. In one run up to five phases can be matched. The weight portion of every phase is estimated, using I/I (corundum)- values, Hie whole analysis (in automatic operation) consumes about 1 or 2 minutes of the processor time on a pdp 11/34 minicomputer. This matches well to the data collection times accessible for fast powder diffraction systems /I/.

Type
VI. XRD Search/Match Procedures and Automation
Information
Advances in X-Ray Analysis , Volume 25: Thirtieth Annual Conference on Applications of X-ray Analysis, August 3-7, 1981 , 1981 , pp. 273 - 282
Copyright
Copyright © International Centre for Diffraction Data 1981

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References

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