Tutorial 21 – Size/Strain Analysis: Shows how size/strain can be determined in topas using the CeO 2 round robin data using an empirical instrumental resoultion function. Tutorial 20 – Fundamental Parameters peak shape fitting – modelling peak shapes in terms of instrumental and sample contributions.
You’ll then try these functions in topas. You’ll use experimental fwhm vs 2-theta data in excel to come up with functions that might describe a real data set. Tutorial 19 – In this tutorial you’ll investigate the various peak shape functions that are used in Rietveld refinement packages. Tutorial 18 – This tutorial explores convolutions to fit a single peak in a pattern using the convolution approach discussed in Rietveld school lectures. These tutorials investigate some of the functions used in Rietveld packages and how peak shapes can be used to give sample size/strain information. Peak shapes are another fundamental aspect of a diffraction pattern. Also discusses ab-inition structure solution from X-ray and neutron data.
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Tutorial 17 – Combined Refinement: Builds from earlier tutorial on ZrW 2O 8 and shows how to simultaneously fit X-ray and neutron data. Tutorial 16 – PbSO 4 constant wavelength neutron data from Jeremy Cockcroft that have been used in several Rietveld schoools. Note this is the same as tutorial 12 above. Tutorial 15 – ZrW 2O 8 Rietveld: Simple Rietveld refinements using lab data, constant wavelength neutron and time of flight neutron data – make sure you have john’s local.inc on your computer. Tutorial 14 – Y 2O 3 data recorded on id31 at the esrf How to perform Rietveld/Pawley refinements using neutron/sychrotron data. Tutorial 13.5 – LaMnO 3 Rietveld with no detailed instructions. Tutorial 13 – Multiphase Rietveld refinement. Tutorial 12 – ZrW 2O 8 Rietveld: Simple Rietveld refinements using lab data, constant wavelength neutron and time of flight neutron data – make sure you have John’s local.inc on your computer. It’s a good way of finding if a unit cell is correct and also finding the “best possible” fit you’d get in a Rietveld refinement. Tutorial 11 – Pawley Fitting: Pawley fitting is a structure-independent whole-pattern fitting method. Tutorial 10 – TiO 2 Rietveld starting from a template file. Tutorial 9 – TiO 2 Rietveld: A simple Rietveld refinement using lab data starting from scratch. Tutorial 8 – How to run a prewritten input file. The examples there have more step-by-step detail and contain screen shots of (approximately) what you should see at each stage. If you want even more basic tutorials on topas/jEdit then take a look at the introductory tutorials on the web. The aim of the tutorials is not to necessarily fully understand what your doing, but to make sure you’re happy with the “mechanics” of the overall process of Rietveld refinement. The tutorials below are intended to give you an introduction to Rietveld and Pawley refinement using the topas academic/jEdit interface.
TA/Simple Rietveld refinement in jedit/Topas Academic Tutorial 7 – Indexing: How to index a powder pattern in topas. Tutorial 6 – Peak Fitting: How to perform individual peak fitting in topas, often the first step before indexing. tutorial 8 or tutorial 9 first which go through some of the mechanics of using jEdit in a bit more detail. If you’ve never used topas/jEdit before you might want to try e.g. You can try these procedures on any of the other data sets provided. These tutorials look at how unknown unit cells are obtained/refined from powder data. Peak positions are one of the fundamental aspects of a diffraction pattern and are determined by the cell size and shape. They will definitely all work if you go back to jEdit 4.3. Several jEdit menus were updated in June 2020 for TOPAS v7and jEdit5.5 not all tutorials have been tested. Most tutorials will run in v4.2 onwards, but some need functionality only available in later releases. In some cases there may now be better ways of tackling the problem or setting up the input file. Please note that these tutorials have been created over several years in Topas version from v4 to v7. There’s more background/theory on many of them in the TOPAS Rietveld book. They’ve been collated from various schools and user meetings. Various tutorials on the use of topas/jEdit are given below.
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