Xrayspekter

Xrayspekter is a Python library designed for the analysis of X-ray diffraction (XRD) data. It provides a comprehensive set of tools for reading, processing, and visualizing XRD patterns. The library supports various common data formats, allowing users to import data from different diffractometers.

Key functionalities of Xrayspekter include baseline correction, peak identification, and peak fitting. Users can automatically detect diffraction peaks within a spectrum or manually refine their positions and intensities. The library also offers methods for calculating crystallographic parameters, such as lattice parameters and peak broadening, which can be related to crystallite size and strain.

For visualization, Xrayspekter generates interactive plots of XRD patterns, allowing users to zoom, pan, and inspect individual peaks. It can also display fitted peak profiles and background signals. The library aims to simplify the workflow for researchers and students working with XRD data, enabling them to extract meaningful structural information from their experiments more efficiently. It is built upon other scientific Python libraries like NumPy and Matplotlib, ensuring compatibility with the wider scientific Python ecosystem.