PyXRD is a python implementation of the matrix algorithm for computer modeling of X-ray diffraction (XRD) patterns of disordered lamellar structures.

Tools for simulating x-ray diffraction. Detailed documentation is found at the below link.

A Python package build to analyze powder XRD (and XRD) data. The only known open-source Github project with a Rietveld refinement method in development.

This repository holds Python scripts used for day-to-day data analysis required by my graduate degree.

The repo for x-ray diffraction pattern crystallography via deep learning.

Scripts to convert data between some X-ray diffraction and Rietvield refinement file formats.

Accelerated molecular crystal structure determination from powder diffraction data

A user-friendly GUI application that calculates crystallite size and microstrain from X-ray diffraction data using 2Theta and HWHM values.

Estimate crystallographic volumes. Web app hosted here: https://hofcalc.streamlit.app

A set of scripts for constructing diffractograms taken in the operando mode during charge-discharge of the electrode material.

Tools for (P)XRD prediction

This software is a plugin for the Veusz software. It is designed to load DQL files produced by the X-ray diffractometer D8 Brucker.

Contains code to train neural networks based on simulated powder XRDs from synthetic crystals.

A converter from PDF format Powder Diffraction File to CSV file.

Python code for obtain EOS for data.

Generates CSV and XLSX files from raw xrd.out files

Guided automated integration of 2D images to 1D patterns using pyFAI