xrd-analysis

PDIndexer is a powder X-ray / neutron diffraction analysis tool: it displays diffraction profiles, overlays the calculated diffraction lines of known crystals, fits peaks to refine lattice constants, and estimates pressure from the equations of state of standard materials.

Modular open-source Python toolkit for X-ray diffraction (XRD) phase identification, structure simulation, and crystallographic data analysis using open databases (COD) and CIF-based calculations.

Python script for background-corrected Full Width at Half Maximum (FWHM) extraction from X-ray diffraction data. Applied to Fe and Al samples before and after wear, using local baseline subtraction, linear interpolation, and visual verification plots for reliable peak broadening analysis.

Data analysis tools for Al and B doped ZnO thin films structural characterization - AIP Conference Proceedings 2023

Green synthesis of copper nanoparticles using Hygrophila auriculata and Leucas aspera | Cytotoxicity | Antioxidant | Antibacterial | Published in Journal of Functional Biomaterials 2026 | CiteScore 6.8

This repo features a Python project where the Materials Project API is used to obtain crystallographic information about various materials in order to simulate its XRD peaks, later letting the user pick between Gaussian, Lorentzian and pseudo-Voigt functions for peak profiling.

Automated cubic structure mineral phase characterization using 1D-CNN on XRD spectroscopy datasets.