curve fitting (peak fitting) software
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Dec 12, 2024 - C++
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powder-diffraction
Here are 27 public repositories matching this topic...
Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials
crystallography materials-science powder-diffraction structure-determination neutron-diffraction gsas-ii
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Nov 7, 2025 - Python
library for reading files with x-y data from powder diffraction, spectroscopy, or other experimental methods
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Dec 20, 2022 - C++
A cross-platform, open-source library for the analysis of X-ray diffraction data.
python calibration powder-diffraction x-ray-diffraction hedm reconstruction-algorithm 3dxrd laue-diffraction multi-detector
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Oct 30, 2025 - Python
Qt6 PySide6 based GUI for the HEXRD library.
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Nov 7, 2025 - Python
Set of scripts for working with Topas
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Apr 16, 2025 - Python
Scripts for building GSAS-II conda packages & binaries and dist location for downloading binaries
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Oct 15, 2025 - Python
Accelerated molecular crystal structure determination from powder diffraction data
python crystal gpu pytorch crystallography crystal-structure powder-diffraction xrd diffraction structure-determination sdpd structure-solution pxrd
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Jun 20, 2025 - Python
A versatile and interactive package for solving crystal structures from powder diffraction data
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Sep 5, 2025 - Fortran
Powder X-ray diffraction Rietveld refinement using FullProf.
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Mar 20, 2022 - HTML
R package: wrapper for the C++ library `xylib`
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Aug 27, 2024 - C++
Tools for XRD and CMWP analysis
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Apr 11, 2023 - Jupyter Notebook
A program for plotting powder diffraction patterns and background subtraction
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Jan 16, 2023 - Python
GSAS-II Tutorial web pages & tutorial data
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Nov 7, 2025 - HTML
Online calculator of partial radial distribution function (PRDF), global RDF, and XRD/ND patterns for crystal structures.
rdf crystal-structure diffraction-pattern powder-diffraction x-ray-diffraction xrd prdf nd radial-distribution-function web-based-application neutron-diffraction
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Nov 7, 2025 - Python
Generic ML prediction of lattice parameters for PXRD
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Oct 12, 2022 - Python
Python library for XrdPatterns including file import, file export and postprocessing functionalities
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Sep 3, 2025 - C++
A command-line interface (CLI) tool for rapid preliminary analysis of powder X-ray Diffraction (XRD) data. This tool is designed for quick initial screening of synthesized materials and provides essential XRD analysis capabilities.
crystallography data-analysis solid-state-physics powder-diffraction material-science xrd xray-diffraction originpro characterisation dataanalysisusingpython
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Apr 19, 2025 - Python
Research, CV, Resume
material x-ray-spectroscopy spectroscopy powder-diffraction x-ray-diffraction science-research x-ray-photoelectron-spectroscopy transmission-electron-microscopy imaging-tem
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Jul 9, 2023 - JavaScript
Estimate crystallographic volumes. Web app hosted here: https://hofcalc.streamlit.app
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Mar 28, 2023 - Python
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