Product References and Information

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

Notice
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+

"Simulation Tools and References for the Analysis of Nanomaterials" - T.G. Fawcett, S. N. Kabbekodu, J. R. Blanton, C. E. Crowder, T. N. Blanton, Vol 58, pp. 108 – 120 (2015) 

"A new “chain” of events: polymers in the Powder Diffraction File™ (PDF®)" - S. D. Gates, T. N. Blanton, and T. G. Fawcett (2014)

“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)   

PDF-4+, Powder Diffraction File Release 2006 Tutorial

PDF-4+, the material identification database
Microstructure Analysis in Material Science, June 15-17, 2005

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

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

New Powder Diffraction File(PDF-4) in relational database format: advantages and data-mining The Powder Diffraction File: present and future
Acta Cryst., (2002), B58, 325-332
Abstract Access, Paid subscription for full paper
http://scripts.iucr.org/cgi-bin/paper?S0108768102003312

PDF-4/Organics

"Reference materials for the study of polymorphism and crystallinity in cellulosics" - T. G. Fawcett, C. E. Crowder, S. N. Kabekkodu, F. Needham, J. A. Kaduk, T. N. Blanton, V. Petkov, E. Bucher and R. Shpanchenko

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)

Formulation analysis of off-the shelf pharmaceuticals
Commission on Powder Diffraction, Newsletter No 30, June 2005

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

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
http://www.americanpharmaceuticalreview.com/

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
http://www.tandf.co.uk/journals/titles/0889311x.html

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

Mapping Drug Chemistry for AZT and Carbamazepine by Combining Cluster Analysis and Diffraction Databases – abstract only
PPXRD-4, Barcelona , Spain , 2004

Mapping Polymorphs by Combining Cluster Analyses and Diffraction Databases – abstract only
ICDD Spring Meeting, Newtown Square, PA 2005

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

“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)

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

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

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

Implementation of Calculated Quality Marks in the Powder Diffraction File presented at the IUCr meeting in Florence, Italy 2005.

Applications

 

Tools for Electron Diffraction Pattern Simulation for the Powder Diffraction File - Joel Reid, David Crane, Justin Blanton, Cyrus Crowder, Soorya Kabekkodu, and Tim Fawcett

New Neutron Diffraction Data Capability in the ICDD PDF-4+ 2014 Relational Database
- J. Faber, C. Crowder, J. Blanton, S. Kabekkodu, T. Blanton, T. Fawcett, O. Gourdon

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).

Developments in Formulation Analysis by Powder Diffraction Analyses
Powder Diffraction -- June 2006 -- Volume 21, Issue 2, pp. 105-110

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

The Powder Diffraction File – PDF-4+, an electron diffraction database
Product literature description

The Powder Diffraction File (PDF): A Relational Database For Electron Diffraction -
Microscopy and Microanalysis, 2005 - CambridgeUnivPress