Product References and Information

The following are publications related to the technology and applications of the Powder Diffraction File

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The articles available for download in this compilation are of two types. Many can be directly downloaded while others can be downloaded from a publishers site.

The articles available for direct download were assembled and compiled through the generous contributions of the authors and several publishers. They gave permission to the ICDD to post this information with the understanding that these publications would be distributed free of charge to enhance education in X-ray analysis.

These publications are copyright protected and are not to be further distributed reproduced or transmitted in any form without permission in writing from the ICDD. The information contained herein is the copyright of the original source and/or the ICDD.

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PDF-4+ - PDF-4/Organics - Software and Database Features - Applications

PDF-4+

1) [PDF 159kb] “Advanced Materials Analysis Using the Powder Diffraction File”, T. G. Fawcett,
F. Needham, C. Crowder and S. Kabekkodu, Proceedings of the 10th National Conference on X-ray Diffraction and ICDD Workshop, Shanghai, China, pp 1-3 October (2009)   

2)[PPT 7MB] PDF-4+, Powder Diffraction File Release 2006 Tutorial

3) [PDF 211kb] PDF-4+, the material identification database
Microstructure Analysis in Material Science, June 15-17, 2005

Free Access, Full paper
[Weblink]
PDF-4+, the material identification database

4) New Powder Diffraction File (PDF-4) in relational database format: advantages and data-mining capabilities
Acta Cryst. (2002), B58, 333-337
Abstract Access, Paid subscription for full paper
[Weblink]
New Powder Diffraction File(PDF-4) in relational database format: advantages and data-mining …

5) The Powder Diffraction File: present and future
Acta Cryst., (2002), B58, 325-332
Abstract Access, Paid subscription for full paper
[Weblink]
http://scripts.iucr.org/cgi-bin/paper?S0108768102003312

PDF-4/Organics

1) [PDF 894kb]International Centre for Diffraction Data round robin on quantitative Rietveld phase Analysis of pharmaceuticals”, T. G. Fawcett, F. Needham, J. Faber, and C. E. Crowder, Powder Diffr. , 25, 60 (2010)

2a) [PDF 124kb] Formulation analysis of off-the shelf pharmaceuticals
Commission on Powder Diffraction, Newsletter No 30, June 2005

2b) [PDF 278kb] Formulation analyses of off the shelf pharmaceuticals
American Pharmaceutical Review, Russell Publishing
Note: The two references have the same subject matter but use different examples

3) [PDF 388kb] Total Pattern Analysis Using the New Organic Powder Diffraction File: PDF-4/Organics
American Pharmaceutical Review, Russell Publishing, Vol 5, Issue 2, pp 70-75, 2002
Free Subscription, Full Paper
[Weblink]
http://www.americanpharmaceuticalreview.com/

4) ICDD's New PDF-4 Organic Database: Search Indexes, Full Pattern Analysis and Data Mining
Crystallography Reviews, 2004, Vol 10, No 1, pp 97-107
Paid Subscription, Full Paper
[Weblink]
http://www.tandf.co.uk/journals/titles/0889311x.html

5) X-ray Diffraction analysis of tegafur
Powder Diffraction -- September 2006 -- Volume 21, Issue 3, pp. 245-247

6 )[PDF 14kb] Mapping Drug Chemistry for AZT and Carbamazepine by Combining Cluster Analysis and Diffraction Databases – abstract only
PPXRD-4, Barcelona , Spain , 2004

7) [PDF 14kb] Mapping Polymorphs by Combining Cluster Analyses and Diffraction Databases – abstract only
ICDD Spring Meeting, Newtown Square, PA 2005

8) [PDF 882kb] PDF-4/Organics – A New Relational Database Format for Powder Diffraction, Data Mining and Materials Characterization
J. of the Ceramic Society of Japan , Supplement 112-1, PACRIM-5 Special Issue, S1434-S1438 2004)

Software and Database Features

1)[PDF 1.6MB] “Tools for Electron Diffraction Pattern Simulation for the Powder Diffraction File”, J. Reid, D. Crane, J. Blanton, C. Crowder, S. Kabekkodu and T. Fawcett, Microscopy Today, 19 (1), pp 32-37 (2011). (http://www.microscopy-today.com/jsp/print_archive/print_archive.jsf)

2)[PDF 215kb] Coupling the PDF-4/Organics Relational Database to Sieve+, a Hanawalt and Fink Indexing Plug-In
Commision on Powder Diffraction, Newsletter No 30, June 2005

3) [PDF 538kb] A Plug-In Program to Perform Hanawalt or Fink Search-Indexing Using Organic entries in the ICDD PDF-4/Organics 2003 Database
Powder Diffraction -- March 2004 -- Volume 19, Issue 1, pp. 26-30

4) [PDF 316kb] Evaluating Experimental Methods and Techniques in X-ray Diffraction Using the 280,000 Data Sets in the Powder Diffraction File
Powder Diffraction -- March 2004 -- Volume 19, Issue 1, pp. 20-25

5) [PDF] Implementation of Calculated Quality Marks in the Powder Diffraction File presented at the IUCr meeting in Florence, Italy 2005.

Applications

 

1) [PDF 275kb]Improved Material Identification Methods Through Targeted Data Mining”, T. G. Fawcett, C. E. Crowder, S. N. Kabekkodu, J. A. Kaduk, accepted for publication in Advances In X-ray Analysis (2011).

2) [PDF 325kb] Developments in Formulation Analysis by Powder Diffraction Analyses
Powder Diffraction -- June 2006 -- Volume 21, Issue 2, pp. 105-110

3) [PDF 394kb] Data Mining the Powder Diffraction File, Present and Future Applications
Presented at the MSU-HTSC VII International Workshop on High-Temperature Superconductors and Novel Inorganic Materials Engineering June 20-25, 2004 Moscow

4) [PDF 5MB] The Powder Diffraction File – PDF-4+, an electron diffraction database
Product literature description

5) [Weblink] The Powder Diffraction File (PDF): A Relational Database For Electron Diffraction -
Microscopy and Microanalysis, 2005 - CambridgeUnivPress
Web Link, Paid Subscription, Full Paper

[Weblink] The Powder Diffraction File (PDF): A Relational Database For Electron Diffraction
J Faber, T Fawcett, R Goehner - Microscopy and Microanalysis, 2005 - CambridgeUnivPress