2013 - Purchase PDF-4+
Identify and Quantitate
The PDF-4+ database is ICDD's most advanced database, designed for both phase identification and quantitative analysis. For quantitative analysis, the database has the following features:
• All 340,653 entries have digital patterns for use
in total pattern analysis
• 243,065 entries have I/Ic values for quantitative analysis by Reference Intensity Ratio
• 227,102 entries with atomic coordinates for quantitative analysis by the Rietveld method
• Digital reference patterns for non-crystalline materials
PDF-4+ 2013 boasts 340,653 entries from both the PDF-2 and our collaboration with MPDS. It combines the world's largest sources of inorganic diffraction data from crystals and powders into a single database. The result is a comprehensive collection of inorganicmaterials, produced in a standardized format that can be rapidly searched for unknown phase identification. Extensive data mining is facilitated with our 92 display fields coupled with 57 searches.
PDF-4+ is designed to support automated quantitative analyses by providing key reference data required for these analyses. It also contains an array of tools that supplement conventional analyses, such as a full suite of data simulation programs enabling the analysis of neutron, electron, or synchrotron data, in addition to X-ray data. PDF-4+ features digitized patterns, molecular graphics and atomic parameters. These features have been incorporated into PDF-4+ to enhance the ability to do quantitative analysis by any of three methods: Rietveld Analysis, Reference Intensity Ratio (RIR) Method or Total Pattern Analysis.
Modulated entries with atomic coordinates have been added to PDF-4+ 2013. These entries are part of a new data source, designated '05', which contains crystal structures abstracted and quality checked by ICDD. The modulated entries include complete descriptions of modulated structural features, superspace group designations, and the W-matrix for modulated composite structures. In the powder diffraction pattern plots, satellite peaks are distinguished from standard cell peaks.
Additional plotting features have been incorporated into the PDF-4+ analysis software for 2013. In addition to 2θ and 1/d, patterns can now be plotted with respect to d and Q. A logarithmic choice has been added for the y-axis. Linear and quadratic regression plots can be added to the search results graphs. All graphs can now be exported to publication-ready PNG and TIFF formats.
The PDF-4+ relational databases have been repackaged into an upgraded Sybase®12 format increasing the search and access speeds throughout. Many of the features and capabilities for PDF-4+ can be viewed here.