Abstract
The International Centre for Diffraction Data (ICDD) is responding to the changing needs in powder diffraction and materials analysis by developing the Powder Diffraction File (PDF) in a very flexible relational database (RDB) format. The PDF now contains 136 895 powder diffraction patterns. In this paper, an attempt is made to give an overview of the PDF-4, search/match methods and the advantages of having the PDF-4 in RDB format. Some case studies have been carried out to search for crystallization trends, properties, frequencies of space groups and prototype structures. These studies give a good understanding of the basic structural aspects of classes of compounds present in the database. The present paper also reports data-mining techniques and demonstrates the power of a relational database over the traditional (flat-file) database structures.
Keywords
Relational databasePowder diffractionDatabaseComputer scienceFile formatDiffractionData formatInformation retrievalData miningCrystallographyChemistryPhysics
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Publication Info
- Year
- 2002
- Type
- article
- Volume
- 58
- Issue
- 3
- Pages
- 333-337
- Citations
- 99
- Access
- Closed
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Cite This
S. Kabekkodu,
J. Faber,
Tim Fawcett
(2002).
New Powder Diffraction File (PDF-4) in relational database format: advantages and data-mining capabilities.
Acta Crystallographica Section B Structural Science
, 58
(3)
, 333-337.
https://doi.org/10.1107/s0108768102002458
Identifiers
- DOI
- 10.1107/s0108768102002458