xrayutilities

xrayutilities is a handy package filled with scripts you need for analyzing X-ray diffraction data. It makes common steps so much easier! This tool can open files in different formats, like XRDML, EDF, and SPEC. If you've been struggling with file types, this will definitely help you out!

Features of xrayutilities

One cool thing about xrayutilities is its set of functions that help you read experimental data. You can find these functions in the "io" subpackage. If you're working with different goniometer geometries, the tool lets you create reciprocal space by converting your files through the "experiment" module.

Data Processing Capabilities

The generated data can be used for various detector systems. Whether you're using linear, point, or area detectors, xrayutilities has got your back! It even transforms objects into normal grids to ensure proper data visualization through the "gridder" module. For seeing your data clearly, it's best to use matplotlib.

Getting Started with Python

You’ll need Python to get everything up and running smoothly. If you want some hands-on experience, check out multiple examples on the developer's website! You’ll find tips on angle calculation using the "experiment" and "material" classes. Plus, there are guides on reading data from files and using the "gridder" classes to calculate diffraction angles for general geometry.

Simulation Examples Available

If simulations are more your style, there are also great simulation examples. You can learn how to build layer stacks for simulations or use special layer types. Setting up models and calculating reflectivity is also covered here!