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The POWDER SUITE: Computer Programs for Searching and Accessing the JCPDS-ICDD Powder Diffraction Database

Published online by Cambridge University Press:  10 January 2013

B.H. Toby
Affiliation:
Department of Materials Science and Engineering and the Laboratory for Research on the Structure of Matter, University of Pennsylvania, 3231 Walnut Street, Philadelphia, Pennsylvania 19104-6272, U.S.A.
R. L. Harlow
Affiliation:
E. I. du Pont de Nemours & Company, Central Research & Development Department, Experimental Station, Wilmington, Delaware 19898, U.S.A.
M. A. Holomany
Affiliation:
International Centre for Diffraction Data, Swarthmore, 1601 Park Lane, Pennsylvania 19081, U.S.A.

Abstract

Two new VAX/VMS computer programs are presented for accessing and searching the Powder Diffraction File (PDF) (1989) of the JCPDS-International Centre for Diffraction Data (ICDD). The programs use binary mapped index files which affords rapid searches of the database. Program LOGIC permits entries in the database to be selected by chemistry, peak position or name constraints. The selected entries may be displayed, printed or graphed. The program can display or print entries from the full PDF-2 (1989) database, if on-line. Program SEARCH searches for patterns in the database which match an unknown set of peaks; the program may be optimized for a wide variety of applications including identification of component phases in mixtures. Commands may be entered to the programs in two modes. In the “novice-friendly” mode, users must answer questions to select options. However, experienced users may opt to use a concise one-line command syntax. The modes may be mixed.

Type
Research Article
Copyright
Copyright © Cambridge University Press1990

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