curve fitting (peak fitting) software
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Mar 2, 2026 - C++
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powder-diffraction
Here are 52 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 2, 2026 - Python
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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Nov 2, 2026 - 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++
Qt6 PySide6 based GUI for the HEXRD library.
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Oct 22, 2026 - Python
Scripts for building GSAS-II conda packages & binaries and dist location for downloading binaries
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Oct 27, 2026 - Python
Set of scripts for working with Topas
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Apr 16, 2025 - Python
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.
csharp winforms crystallography equation-of-state cif crystal-structure materials-science powder-diffraction x-ray-diffraction synchrotron peak-fitting neutron-diffraction high-pressure mineralogy phase-identification mineral-physics xrd-analysis diamond-anvil-cell
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Nov 2, 2026 - C#
A versatile and interactive package for solving crystal structures from powder diffraction data
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Oct 2, 2026 - Fortran
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
Powder X-ray diffraction Rietveld refinement using FullProf.
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Mar 20, 2022 - HTML
IPAnalyzer converts Debye-Scherrer ring images from imaging plates and flat-panel detectors into 1D diffraction profiles, calibrates the measurement geometry, and works with PDIndexer.
csharp winforms image-processing crystallography hdf5 materials-science powder-diffraction x-ray-diffraction synchrotron diffraction electron-diffraction neutron-diffraction high-pressure azimuthal-integration mineral-physics imaging-plate debye-scherrer detector-calibration
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Nov 2, 2026 - 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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Oct 17, 2026 - Python
R package: wrapper for the C++ library `xylib`
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Oct 3, 2026 - C++
Calculate powder XRD patterns based on XRDCalculator in pymatgen, but using Rust for certain parts, making it about > 10x faster.
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Jul 28, 2026 - Python
Tools for XRD and CMWP analysis
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Apr 11, 2023 - Jupyter Notebook
GSAS-II Tutorial web pages & tutorial data
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Oct 27, 2026 - HTML
2D XRD images to calibrated 1D powder patterns: pyFAI calibration (LaB6/CeO2/Si), azimuthal integration, background, batch compare/heatmaps, peak/profile fitting (Scherrer/W-H), Le Bail/Rietveld, CIF simulation, and a four-view in-situ workbench — CLI + PySide6 app, Windows/macOS builds.
crystallography calibration scientific-computing materials-science powder-diffraction x-ray-diffraction xrd peak-fitting structure-factor azimuthal-integration pyside6 operando rietveld pyfai williamson-hall in-situ-xrd
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Nov 2, 2026 - Python
A program for plotting powder diffraction patterns and background subtraction
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Jan 16, 2023 - Python
Python library for XrdPatterns including file import, file export and postprocessing functionalities
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Sep 3, 2025 - C++
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