31 March 2025 to 4 April 2025
ILL4
Europe/Paris timezone

Documentation

The PDF files below contain the relevant FPSchool 2025 lectures and exercises. 
 

Lectures:

Talk 1

Welcome

T. Hansen

Talk 2

Introduction to the FullProf Suite

J. Rodríguez-Carvajal

Talk 3

Introduction to the mathematical description of powder diffraction patterns

J. Rodríguez-Carvajal

Talk 4

Introduction to FullProfAPP

O. Arcelus

Talk 5

Indexing protocol in WinPLOTR as interface for Dicvol, Ito and Treor

T. Hansen

Talk 6

Rietveld refinements

J. Rodríguez-Carvajal

Talk 7

Strategies for Rietveld refinement

C. Ritter

Talk 8

Bond Valence Landscapes

N. Katcho

Talk 9

Simulated Annealing. Introduction to the GLOpSAnn program

J. Rodríguez-Carvajal

Talk 10

Sequential refinements

O. Arcelus

Talk 11

Rietveld refinements with microstructural effects.

J. Rodríguez-Carvajal

Talk 12

Introduction to the FAULTS program

J. Serrano

Talk 13

Recent Advances and New Features in the FullProf Suite

N. Katcho

Download a ZIP file with all lectures HERE

 

Exercises:

 

Tutorial

Name

Description

Tutorial 0Indexing Examples of indexation

Tutorial 1

WinPLOTR 

Documents and exercises showing the use of WinPLOTR 

Tutorial 2

Introduction to the FullProf program with Y2O3 

Complete tutorial and exercises using X-ray data on Y2O3 

Tutorial 3

Rietveld Refinement of Co-doped YBa2Cu3O6+x 

Exercise for lehttps://www.ill.eu/sites/fullprof/downloads/Docs/6-Microstructure.ziparning to perform a NPD Rietveld refinement  

Tutorial 4

Analysis of Spinel MgAl2O4 

Exercise for constructing an IRF file and compare two samples of MgAl2O4 

Tutorial 5

Quantitative Phase Analysis 

Two examples (Rutile & Anatase) and Egyptian Makeup 

Tutorial 6

Microstructural Analysis 

Four examples handling microstructure with IRF files 

Tutorial 7

The use of symmetry modes with AMPLIMODES 

Two examples (CaTiO3 and LaMnO3) treated using symmetry modes 

Tutorial 8

Rigid Bodies and Restraints 

Tutorial introducing restraints and rigid bodies (Urea, Naphtalene, Sr-oxalate) 

Tutorial 9

Simulated Annealing and rigid bodies 

Solving the structure of organic compounds by Simulated Annealing (PPH3 & Citric Acid) 

Tutorial 10

Exercises with FullProfAPP 

Examples using FullProfAPP (EgyptMakeup, LiFePO4, LiNixMnyCozO2) 

Tutorial 11

Tutorials FAULTS 

Solutions

Examples using FAULTS (Graphite, LiNiO2, Li2MnO3) 

 

Download a ZIP file with all exercises HERE

 

Essential links

 

FullProf Suite
Crystallographic tools for Rietveld, profile matching & Integrated intensity refinements of X-Ray and/or neutron data

FullProf APP

Is a self dedicated Application designed to assist users in managing and analyzing diffraction data processed with FullProf. 

BCS

Bilbao Crystallographic Server of crystallographic symmetry information

VESTA

VESTA is a 3D visualization program for structural models, volumetric data such as electron/nuclear densities, and crystal morphologies.

ISOTROPY Software Suite

The ISOTROPY software suite is a collection of software which applies group theoretical methods to the analysis of phase transitions in crystalline solids.

IUCr

International Union of Crystallography

IUCr Commission on Magnetic Structures

The primary purpose of this commission is to facilitate research on the discovery and communication of magnetic structures in magnetically ordered materials.