theopslookin/crysanalyze

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.

Language: Python - Size: 25.4 KB - Last synced at: about 7 hours ago - Pushed at: about 9 hours ago - Stars: 0 - Forks: 0

ccdc-opensource/dash

A versatile and interactive package for solving crystal structures from powder diffraction data

Language: Fortran - Size: 5.74 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 12 - Forks: 1

AdvancedPhotonSource/GSAS-II-tutorials

GSAS-II Tutorial web pages & tutorial data

Language: HTML - Size: 510 MB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 6 - Forks: 3

AdvancedPhotonSource/GSAS-II

Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials

Language: Python - Size: 296 MB - Last synced at: 6 days ago - Pushed at: 6 days ago - Stars: 56 - Forks: 22

HEXRD/hexrd

A cross-platform, open-source library for the analysis of X-ray diffraction data.

Language: Python - Size: 24.7 MB - Last synced at: 7 days ago - Pushed at: 7 days ago - Stars: 61 - Forks: 25

wojdyr/fityk

curve fitting (peak fitting) software

Language: C++ - Size: 15.1 MB - Last synced at: about 2 hours ago - Pushed at: 5 months ago - Stars: 274 - Forks: 57

HEXRD/hexrdgui

Qt6 PySide6 based GUI for the HEXRD library.

Language: Python - Size: 7.65 MB - Last synced at: 8 days ago - Pushed at: 8 days ago - Stars: 35 - Forks: 13

AdvancedPhotonSource/GSAS-II-buildtools

Scripts for building GSAS-II conda packages & binaries and dist location for downloading binaries

Language: Shell - Size: 352 KB - Last synced at: 24 days ago - Pushed at: 24 days ago - Stars: 10 - Forks: 3

raymsm/crysanalyze

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.

Language: Python - Size: 24.4 KB - Last synced at: 27 days ago - Pushed at: 28 days ago - Stars: 1 - Forks: 0

aimat-lab/xrdpattern

Python library for XrdPatterns including file import, file export and postprocessing functionalities

Language: C++ - Size: 17.1 MB - Last synced at: 23 days ago - Pushed at: 28 days ago - Stars: 2 - Forks: 0

stefsmeets/topas_tools

Set of scripts for working with Topas

Language: Python - Size: 247 KB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 16 - Forks: 4

DuarteME/Crystallography

This is a Mathematica script to perform algebraic calculations of distances and angles between planes and directions in crystallography.

Language: Mathematica - Size: 43.9 KB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 0 - Forks: 0

wojdyr/xylib

library for reading files with x-y data from powder diffraction, spectroscopy, or other experimental methods

Language: C++ - Size: 2.45 MB - Last synced at: 10 days ago - Pushed at: over 2 years ago - Stars: 63 - Forks: 19

FlorianMeurer/PXRDAbsorb

Gives the optimal estimated dilution for a absorbing crystalline cappilary powder sample

Language: Python - Size: 1.98 MB - Last synced at: 6 months ago - Pushed at: 6 months ago - Stars: 0 - Forks: 0

pranabdas/fullprof

Powder X-ray diffraction Rietveld refinement using FullProf.

Language: HTML - Size: 2.61 MB - Last synced at: 9 days ago - Pushed at: about 3 years ago - Stars: 7 - Forks: 0

R-Lum/rxylib

R package: wrapper for the C++ library `xylib`

Language: C++ - Size: 87.2 MB - Last synced at: about 5 hours ago - Pushed at: 9 months ago - Stars: 10 - Forks: 2

sathya-chitturi/DeepLPnet

Generic ML prediction of lattice parameters for PXRD

Language: Python - Size: 33.7 MB - Last synced at: about 2 months ago - Pushed at: over 2 years ago - Stars: 3 - Forks: 1

stefsmeets/lines

A program for plotting powder diffraction patterns and background subtraction

Language: Python - Size: 1.18 MB - Last synced at: about 1 month ago - Pushed at: over 2 years ago - Stars: 6 - Forks: 3

karel66/DPS61

Language: Pascal - Size: 319 KB - Last synced at: over 1 year ago - Pushed at: over 2 years ago - Stars: 0 - Forks: 0

mspillman/gallop

Accelerated molecular crystal structure determination from powder diffraction data

Language: Python - Size: 2.01 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 6 - Forks: 1

fezengotita/fezengotita.github.io Fork of academicpages/academicpages.github.io

Research, CV, Resume

Language: JavaScript - Size: 49.1 MB - Last synced at: over 1 year ago - Pushed at: almost 2 years ago - Stars: 1 - Forks: 0

rhysgt/cmwp_tools

Tools for XRD and CMWP analysis

Language: Jupyter Notebook - Size: 6.04 MB - Last synced at: about 1 year ago - Pushed at: about 2 years ago - Stars: 5 - Forks: 1

mspillman/hofcalc

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

Language: Python - Size: 43.9 KB - Last synced at: about 2 years ago - Pushed at: over 2 years ago - Stars: 0 - Forks: 0

Topas-Nordic/TopasExtractor

A Python CLI tool for quickly extracting refined parameters from Topas OUT files to CSV or Pandas DataFrames.

Language: Python - Size: 26.4 KB - Last synced at: about 2 years ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 0

dewiedem/calcopp

A Program for the Calculation of Effective One-Particle Potentials (OPPs)

Language: Python - Size: 13.2 MB - Last synced at: about 2 years ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 0