Put your new skills to the test! Following our recent workshop, we invite all participants to apply the techniques learned in a friendly analysis competition. This is your opportunity to work with a diverse set of real-world data and showcase your analytical expertise.
Your task is to perform a thorough analysis of one or more powder diffraction datasets from the official Momentum Transfer sample repository. All submissions are welcome, from phase identification to quantitative analysis or structure solution.
All datasets for this competition must be from the repository linked below. Information regarding the source
and composition of the samples is provided in the sample-list.csv
file within the repository.
You may use any of the software and analytical techniques demonstrated during the workshop. The goal is to produce the most accurate and insightful analysis possible.
To ensure our judges can review your work, please export your final results in a format that clearly presents your analysis as well as the data you analysed. The required format depends on the software used:
.PRO
or .INP
file.EXP
file.xml
report fileWhen your analysis is complete, please upload your project file(s) using the official submission form.
Go to Submission PageDay | Start | End | Session | Speaker(s) |
---|---|---|---|---|
29 September Basics & Qualitative Analysis |
08:30 | 09:00 | Registration and Welcome | |
09:00 | 09:15 | Opening Remarks & Introduction | Cinzia Giannini, Director of the Institute of Crystallography - CNR; Piero Mastrorilli, DICATECh, Poliba | |
09:15 | 10:00 | Powder X-ray Diffraction: Theoretical Basic Concepts | Rosanna Rizzi | |
10:00 | 10:40 | Powder X-ray Diffraction: Practical Aspects & IRF | Paolo Scardi | |
10:40 | 11:10 | Coffee Break | ||
11:10 | 11:50 | Qualitative Phase Analysis: Theory and Databases | Aurelia Falcicchio | |
11:50 | 12:30 | ICDD PDF5+ and JADEPro | Tom Blanton | |
12:30 | 13:30 | Lunch Break | ||
13:30 | 15:00 | Demo: Profile Fitting | Robert Dinnebier | |
15:00 | 15:30 | Coffee Break | ||
15:30 | 16:30 | Practical Exercises on Qualitative Phase Analysis: QualX2.0 software in action | Aurelia Falcicchio | |
16:30 | 18:00 | Practical Exercises on Qualitative Phase Analysis: ICDD PDF5+ and JADEPro | Tom Blanton | |
30 September Quantitative Analysis & Structure Solution |
||||
08:30 | 09:30 | Quantitative Phase Analysis Methods | Arnt Kern | |
09:30 | 10:30 | Structure Solution & Rietveld Refinement | Robert Dinnebier | |
10:30 | 11:00 | Coffee Break | ||
11:00 | 12:00 | Hands-on: TOPAS v.7 Exercises | Robert Dinnebier | |
12:00 | 12:30 | Using PETRA III for Science | Johannes Blum | |
12:30 | 13:30 | Lunch Break | ||
13:30 | 14:30 | Quantitative Analysis | Arnt Kern | |
14:30 | 15:00 | Correction Factors & LLMs for XRD | Bernd Hinrichsen | |
15:00 | 15:15 | Coffee Break | ||
15:15 | 17:00 | EXPO Software Overview and guided Structure Solution and Refinement Exercises | Corrado Cuocci | |
20:00 | 22:00 | Course Dinner | Piccinni 28 Restaurant - Via Nicolò Piccinni 28, Bari | |
1 October PDF & Size-Strain Analysis | ||||
09:00 | 10:00 | Introduction to Total Scattering and Pair Distribution Function (PDF) Analysis | Maxwell Terban | |
10:00 | 10:30 | Coffee Break | ||
11:00 | 11:30 | Obtaining and Interpreting the Pair Distribution Function from Total Scattering Data | Maxwell Terban | |
11:30 | 12:30 | Size-Strain Analysis – Isotropic and Anisotropic Microstructural Parameters | Paolo Scardi | |
12:30 | 13:30 | Lunch Break | ||
13:30 | 15:00 | Hands-on: PDF Analysis and Crystal Structure Refinement | Maxwell Terban | |
15:00 | 15:15 | Coffee Break | ||
15:15 | 16:45 | Modelling Nanoparticle Structures and Particle Size Distributions | Paolo Scardi | |
16:45 | 17:00 | Closing Remarks and Certificate Distribution | Rosanna Rizzi, Annamaria Mazzone |
Annamaria Mazzone, Institute of Crystallography, CNR – Bari, Italy
Rosanna Rizzi, Institute of Crystallography, CNR – Bari, Italy
Piero Mastrorilli, Politecnico di Bari – Bari, Italy
Giuseppe Eugenio Bruno, Politecnico di Bari – Bari, Italy
Nicola Corriero, Institute of Crystallography, CNR – Bari, Italy
Maria Giovanna Papadopoulos, Institute of Crystallography, CNR – Bari, Italy
Bernd Hinrichsen, Momentum Transfer, Hamburg, Germany