ICDD’S NEW PDF-4 DATABASES: SEARCH INDEXES, FULL PATTERN ANALYSIS AND DATA MINING John Faber International Centre for Diffraction Data Newtown Square, PA, 19073. Acknowledgements. Bruker-AXS Thanks very much At ICDD – Justin Blanton Fangling Needham. Outline.
Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author.While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server.
ICDD’S NEW PDF-4 DATABASES: SEARCH INDEXES, FULL PATTERN ANALYSIS AND DATA MININGJohn Faber International Centre for Diffraction Data Newtown Square, PA, 19073
Only stick pattern
But we cannot recover atom temperature factors! These are not stored in the database.
We can obtain connectivity data and 2D/3D structural representations.
ADD ~60,000 ENTRIES IN 2003
New ICDD Software Product:
Search finds Thalidomide phase using the ICDD PDF-4/Organics 2003
DATA MINING ANALYSIS AND DATA MINING
ENTRIES IN THE PDF-4/ORGANICS 2003 ANALYSIS AND DATA MINING
Anti-inflammatory, Piroxicam ANALYSIS AND DATA MINING(Feldene by Pratt)
Experimental ANALYSIS AND DATA MINING
Calculated Pattern Comparisons - Piroxicam ANALYSIS AND DATA MINING
Rietveld refinement: preferred orientation seen:
Ground specimen mortar and pestle
preferred orientation seen:
Micronizing Mill employed to reduce PO, fine particles
XRD unequivocal: Upon grinding, we see a ANALYSIS AND DATA MININGcomplete transition of anhydrate to monohydrate