Mastering the PDF® Database and JADE® Software
ICDD’s FREE Monthly Webinar Series • Presented by ICDD® and Materials Data®
Welcome to ICDD’s monthly webinar series, covering topics relating to the Powder Diffraction FileTM and JADE®. Learn the potential of each – as well as the superpower they become when coupled together! In less than one hour, you will walk away with tips and tools to build your confidence and improve your productivity. You’ll be guided by ICDD’s and Materials Data’s experts and developers.
Spaces are limited so make sure you are on our mailing list to receive ICDD Newsletters and be up to date about future webinars. See our upcoming webinar topics below.
The analysis of pharmaceuticals and pharmaceutical formulations can be difficult. The materials are often needles or platelets that tend to orient. Many pharmaceuticals are weakly scattering and poor absorbers so instrumental errors such as specimen displacement and transparency are common. A typical tablet formulation can contain noncrystalline, nanocrystalline and amorphous materials as part of the product design so typical single crystal databases have difficulty with the analysis. The PDF-4/Organics database Release 2022 is designed to overcome these difficulties through a combination of having the right types of data, with embedded applications and analysis software. This database has been specifically designed, and subsequently developed, over the last 20 years for pharmaceutical analyses. In this webinar we will explore design features and analysis applications.
In this webinar, you will learn:
- Data mining for specific compounds/polymorphs.
- Subfiles and data types.
- Instrumental corrections.
- Crystallite size and orientation adjustments.
- Identification by Search/Match and Similarity Index.
Tim Fawcett
Former ICDD Executive Director
PDF-4/Organics in 2002. He retired in 2017 and was named a Distinguished Fellow of the ICDD in 2021. He has several awards, publications, and patents related to pharmaceutical analysis and characterization.
Previous Webinars
March 2021 – InSession
“Data Mining in PDF-4+”
Speaker: Justin Blanton, Manager of Engineering & Design
PDF-4+ 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 inorganic materials, produced in a standardized format that can be rapidly searched for unknown phase identification. Extensive data mining is facilitated with 131 display fields coupled with 77 searches. This allows the user to find PDF entries of interest based on user-defined search criteria.
- Perform searches based on elemental data, crystallographic data, physical properties, classifications, and more.
- Combine multiple searches using Boolean logic.
- Customize your search results by adding display fields and sorting table columns.
- Create X-Y graphs, category graphs, and histograms based on your search results.
June 2021 – InSession
“Advantages of Using PDF-4+”
Speaker: Justin Blanton, Manager of Engineering & Design
PDF-4+ 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 inorganic materials, produced in a standardized format that can be rapidly searched for unknown phase identification. PDF-4+ also includes enhanced analytical tools not typically found in other software or database packages.
- Create powder diffraction simulations based on a wide range of radiation types:
- X-ray diffraction
- Neutron diffraction (constant wavelength and time-of-flight)
- 2D (ring) pattern simulations
- Create single crystal electron diffraction simulations:
- Selected area electron diffraction (SAED)
- Electron backscatter diffraction (EBSD)
- Create 3D molecular structures (with support for modulated structures)
- Perform whole pattern matching of non-crystalline/amorphous materials in the database
- Analyze 2D diffraction patterns for phase identification
- Analyze compositions extracted from X-ray fluorescence (XRF) data for phase identification