TOPAS School
“Structure Determination and Refinement”
Bruker is pleased to announce a TOPAS School with hands-on training to be held from 17-19 May 2023, at ICDD Headquarters, Newtown Square, Pennsylvania.
The primary topic of the school is to teach participants the operation of TOPAS for structure determination and refinement from powder diffraction data. Participants should be familiar with the basics of crystal structure analysis. Previous knowledge of TOPAS is not required but is an advantage.
Training contents:
- Indexing using the Least-Squares Indexing (LSI) method
- Pawley and Le Bail refinements
- Ab-initio structure determination using Global Optimization
- Structure refinement using the Rietveld and Two-Stage methods
- Use of (laboratory and synchrotron) X-ray data and neutron data
- Introduction to pair distribution function (PDF) analysis
Note:Â Bring your up-to-date laptop to perform exercises in the hands-on sessions. You must have Win10 (64bit) or Win11 (64bit) installed, administrator rights, and functioning WLAN and USB ports. TOPAS V7 and temporary licenses will be made available onsite. If you don’t want to bring a laptop, or if your laptop does not fulfill the requirements, you may follow the exercises on the main screen.
Dates: 17-19 May 2023
Location: ICDD Headquarters
12 Campus Blvd, Newtown Square, PA, USA
Organizers & Instructors:
Arnt Kern, Bruker AXS, DE
Scott Misture, Alfred University, USA
Nathan Henderson, Bruker AXS, USA
Tom Blanton, ICDD, USA
TOPAS (TOtal Pattern Analysis Solution)
TOPAS is a profile fitting based software for quantitative phase analysis, microstructure analysis, and crystal structure analysis.
Wednesday, 17 May 2023
| 12:00 – 13:00 | Check in |
| 12:00 – 13:00 | Lunch Break |
| 13:00 – 13:10 | Welcome |
| 13:10 – 14:00 | Introduction to TOPAS |
| 14:00 – 14:30 | Origin and description of Bragg peak profiles |
| 14:30 – 15:00 | Coffee break |
| 15:00 – 15:30 | Introduction to Least-Squares Indexing |
| 15:30 – 17:00 | Exercises |
| 17:00 – 17:30 | Introduction to Pawley and Le Bail methods |
| 17:30 – 18:00 | Exercises |
| 18:00 – 19:00 | Reception at ICDD |
Thursday, 18 May 2023
| 09:00 – 10:00 | Introduction to structure determination and refinement |
| 10:00 – 10:30 | Model building |
| 10:30 – 11:00 | Coffee break |
| 11:00 – 12:30 | Structure determination (Global Optimization, exercises – part 1) |
| 12:30 – 13:30 | Lunch break |
| 13:30 – 15:30 | Structure determination (Global Optimization, exercises – part 2) |
| 15:30 – 16:00 | Coffee break |
| 16:00 – 18:00 | Structure determination (Global Optimization, exercises – part 3) |
Friday, 19 May 2023
| 09:00 – 10:30 | Structure refinement (Rietveld and Two-Step methods, exercises) |
| 10:30 – 11:00 | Coffee break |
| 11:00 – 12:30 | Introduction to pair distribution function analysis (demonstrations only) |
| 12:30 – 12:40 | Closing Remarks |
Dates: 17-19 May 2023
Location: ICDD Headquarters
12 Campus Blvd, Newtown Square, PA, USA
Registration is closed:
$500
Student Registration is closed:
$250
Registration will close after 12 May 2023.
There will not be onsite registration.
All participants must complete the 2023 ICDD Event Health Waiver in order to participate.
Hilton Garden Inn Newtown Square Radnor ~1.8 miles to ICDD Headquarters
Fairfield Inn & Suites by Marriott Philadelphia Broomall/Newtown Square ~4.9 miles to ICDD Headquarters
Hampton Inn & Suites Philadelphia/Media ~6.1 miles to ICDD
Best Western Plus Concordville Hotel ~10.7 miles to ICDD Headquarters
Staybridge Suites Wilmington – Brandywine Valley ~11.7 miles to ICDD Headquarters
Hampton Inn & Suites Chadds Ford ~13.4 miles to ICDD Headquarters
Hyatt House Philadelphia/King Of Prussia ~14.4 miles to ICDD Headquarters
The TOPAS School precedes the 17th Pharmaceutical Powder X-ray Diffraction Symposium (PPXRD-17), 21-24 May 2023, also held at ICDD HQ.
Don’t miss the unique opportunity to join both meetings!