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ICDD monthly webinar

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.

June InSession 2022

Despite the extensive coverage of the Powder Diffraction File, most workers at least occasionally encounter phases not present in the database, and thus have a need for ab initio structure solution. In this webinar, multiple techniques will be illustrated using real examples from actual work. No one tool will solve every problem, so a variety of resources are helpful.

In this webinar, you will learn about:

  • Identifying Structural Analogs
  • Indexing: A necessary first step in structure solution
  • Lattice Matching Techniques
  • Direct Methods and Charge Flipping
  • Monte Carlo Simulated Annealing
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Speaker
Dr. James Kaduk

Dr. James Kaduk

Dr. James Kaduk is a Research Professor of Chemistry at Illinois Institute of Technology in Chicago, and an Adjunct Professor of Physics at North Central College in Naperville. While at INEOS, Jim served as an Associate Research Scientist running the XRD Laboratory. There, he characterized a wide variety of materials, including catalysts, organic small molecules, coordination complexes, polymers, corrosion deposits, and various sorts of crud. He is well-known for solving and refining crystal structures from powder diffraction data.

Upcoming Webinars TBA

Registration coming soon. While you’re waiting for the webinar, start exploring PDF-4+ and JADE now!

Previous Webinars

InSession webinars are free to view. Enter your email, name, and affiliation to watch the most recent PDF Database webinars. Browse the sections below to see the webinar descriptions and speaker bios. If you are interested in viewing JADE Software InSession webinars, please contact mdi@materialsdata.com.

ab initio Crystal Structure Solution

Latest InSession – JUST GIVEN 29 JUNE 2022!

“ab initio Crystal Struction Solution – a Primer”

Speaker: Jim Kaduk
Despite the extensive coverage of the Powder Diffraction FileTM, most workers at least occasionally encounter phases not present in the database, and thus have a need for ab initio structure solution. In this webinar, multiple techniques will be illustrated using real examples from actual work. No one tool will solve every problem, so a variety of resources are helpful.
In this webinar you will learn about:
  • Identifying Structural Analogs
  • Indexing: a necessary first step in structure solution
  • Lattice Matching Techniques
  • Direct Methods and Charge Flipping
  • Monte Carlo Simulated Annealing

Advantages of Using PDF-4+

“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
Q&A Portion of Webinar

Data Mining in PDF-4+

“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.
Q&A Portion of Webinar

Setting Up Your Lab

“Setting Up Your Lab”

Speakers: Tom Blanton, Current ICDD Executive Director, & Tim Fawcett, Former ICDD Executive Director

In this webinar, you will learn:

  • Sample preparation
  • Complimentary techniques
  • Diffractometer tips
  • Database and software options
Q&A Portion of Webinar

Pharmaceutical Characterization using PDF-4/Organics

“Pharmaceutical Characterization using PDF-4/Organics”

Speaker: Tim Fawcett, Former ICDD Executive Director

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:

  1. Data mining for specific compounds/polymorphs.
  2. Subfiles and data types.
  3. Instrumental corrections.
  4. Crystallite size and orientation adjustments.
  5. Identification by Search/Match and Similarity Index.
Q&A Portion of Webinar

2D Pattern Analysis using PDF-4+

“2D Pattern Analysis Using PDF-4+”

Speakers: Justin Blanton, Manager of Engineering and Design & Tom Blanton, ICDD Executive Director

Two-dimensional diffraction data contain abundant information about the phases, microstructure, and orientation of a solid material. In recent years, enhancements in detector technology have increased the use of two-dimensional detectors in academic, government, and industrial laboratories. This InSession webinar will demonstrate how to display X-ray, electron, and neutron two-dimensional diffraction patterns using the ICDD Powder Diffraction File™ (PDF®) PDF-4 databases. Phase identification for data obtained using two-dimensional diffraction data collection will also be presented, along with some new analysis features.

In this webinar, you will learn:

  • Display of Ring, SAED, and EBSD diffraction patterns

  • Importing two-dimensional data into PDF databases

  • Phase identification using two-dimensional diffraction data