raymsm/hea-prop-predict

A command-line tool to provide rapid, approximate estimates for basic properties (density, lattice parameter, thermal conductivity) of High Entropy Alloys (HEAs) based on their elemental composition. It utilizes simple Rule-of-Mixtures (RoM) and Vegard's Law models.

Language: Python - Size: 30.3 KB - Last synced at: 5 days ago - Pushed at: 5 days ago - Stars: 1 - Forks: 0

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: 5 days ago - Pushed at: 5 days ago - Stars: 1 - Forks: 0

mtex-toolbox/mtex

MTEX is a free Matlab toolbox for quantitative texture analysis. Homepage:

Language: MATLAB - Size: 94.9 MB - Last synced at: 5 days ago - Pushed at: 5 days ago - Stars: 313 - Forks: 192

MiaoJiawei/PyXRD-Li_anode

使用XRD衍射数据测定锂离子电池负极材料相关结构参数的自动化处理程序

Language: Python - Size: 64.5 KB - Last synced at: 5 days ago - Pushed at: 6 days ago - Stars: 0 - Forks: 0

raymsm/xrdPlot

xrdPlot is a web-based visualization tool for X-ray Diffraction (XRD) data. Built using Next.js and styled with Tailwind CSS, the app provides researchers with a fast and interactive platform to upload and plot .xy XRD files (2θ vs Intensity).

Language: TypeScript - Size: 143 KB - Last synced at: 5 days ago - Pushed at: 6 days ago - Stars: 0 - Forks: 0

AGI-init/XRDs

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

Language: Python - Size: 25.2 MB - Last synced at: 3 days ago - Pushed at: about 1 year ago - Stars: 11 - Forks: 4

PyXRD/PyXRD

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

Language: Python - Size: 10.4 MB - Last synced at: 3 days ago - Pushed at: about 5 years ago - Stars: 57 - Forks: 17

andrewrgarcia/powerxrd

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.

Language: Python - Size: 2.58 MB - Last synced at: 9 days ago - Pushed at: 28 days ago - Stars: 46 - Forks: 5

CiscoDevNet/XRd-Sandbox

Reference repository for the XRd sandbox

Size: 13.7 KB - Last synced at: 2 days ago - Pushed at: 5 months ago - Stars: 3 - Forks: 0

joscor34/XRD_interpreter

This repository hosts code designed to convert uxd-format files from an XRD machine into CSV files. These files are subsequently used for graphical representation and analysis of properties such as: FWHM, theta and crystallite size using the Debye-Scherrer and Williamson-Hall formulas. All of this is carried out using Python.

Language: Jupyter Notebook - Size: 14.7 MB - Last synced at: 24 days ago - Pushed at: over 1 year ago - Stars: 1 - Forks: 0

FABLE-3DXRD/xrd_simulator

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

Language: Python - Size: 31.3 MB - Last synced at: 10 days ago - Pushed at: 17 days ago - Stars: 28 - Forks: 9

zeroware/weebfinger 📦

a Webfinger utility for JavaScript

Language: JavaScript - Size: 6.84 KB - Last synced at: 7 days ago - Pushed at: about 8 years ago - Stars: 1 - Forks: 0

michaelplews/materials-research

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

Language: Python - Size: 1.05 MB - Last synced at: 15 days ago - Pushed at: about 5 years ago - Stars: 12 - Forks: 4

Sajjon/rad

Radix Babylon vanity address finder allowing easy import into Radix mobile Wallet.

Language: Rust - Size: 377 KB - Last synced at: 10 days ago - Pushed at: 2 months ago - Stars: 7 - Forks: 0

SJeeFooS/crystalo-atum

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

Language: Python - Size: 33.2 MB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 0 - Forks: 0

DevinduDh/XRD-Data-Extract

During my research on thin films, I performed X-ray diffraction (XRD) analysis and received data in .ras files. To analyze this data in Origin, I needed to extract the 2theta and intensity values. To streamline this process, I created a Jupyter notebook for easy extraction of the required data into a new Excel file.

Language: Jupyter Notebook - Size: 22.5 KB - Last synced at: 8 months ago - Pushed at: 8 months ago - Stars: 0 - Forks: 0

m410y/james

Bruker D8 Venture APEX workaround

Language: Julia - Size: 51.8 KB - Last synced at: 9 months ago - Pushed at: 9 months ago - Stars: 0 - Forks: 0

TRI-AMDD/CAMD-XRD

A powder XRD structure solution library for inorganic compounds that couples efficient symmetry-aware structure generation with density functional theory based atomic position relaxations.

Language: Jupyter Notebook - Size: 436 KB - Last synced at: 11 months ago - Pushed at: about 3 years ago - Stars: 2 - Forks: 0

hanc4-git/manual

manual

Size: 30.3 KB - Last synced at: 13 days ago - Pushed at: 12 months ago - Stars: 0 - Forks: 0

hmntsharma/cisco-xrd

Language: HTML - Size: 509 KB - Last synced at: 20 days ago - Pushed at: over 2 years ago - Stars: 3 - Forks: 3

felistter/xrd-reader

Application for rapid overview of XRD data

Language: JavaScript - Size: 1.27 MB - Last synced at: about 1 year ago - Pushed at: almost 4 years ago - Stars: 0 - Forks: 1

Raul-rx7/X-Ray-Diffraction-Analysis-To-Materials

This notebook deals with the data analysis of an X-ray Diffractogram as an alternative study to interpret the results obtained from a given material, whether crystalline or amorphous.

Language: Jupyter Notebook - Size: 148 KB - Last synced at: about 1 year ago - Pushed at: over 4 years ago - Stars: 1 - Forks: 0

Raul-rx7/X-Ray-Diffraction-Analysis-SG

Data analysis of an X-ray Diffractogram as an alternative study to interpret the results obtained from a given amorphous materials.

Language: Jupyter Notebook - Size: 422 KB - Last synced at: about 1 year ago - Pushed at: almost 4 years ago - Stars: 1 - Forks: 0

NoPolyScience/BoolXRD

BoolXRD is a freeware designed to plot 3D cubic cell structures of crystals depending on their X-Ray Diffraction (XRD) Crystallography data. The "hkl" values obtained from XRD are used to plot the reflecting planes within a cubic cell. In addition, various crystal structures (eg. SC, BCC, FCC) can be simulated and customized in BoolXRD.

Size: 2.52 MB - Last synced at: 11 months ago - Pushed at: about 2 years ago - Stars: 5 - Forks: 0

materialsguy/Bessy-II-KMC-II-insitu-sin2psi

Data analysis of experiments at the KMC-II beamline at Bessy II Synchrotron

Language: Jupyter Notebook - Size: 18.1 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0

marinebox/SmartLab_PDF_pdf2csv

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

Language: Python - Size: 16.6 KB - Last synced at: over 1 year ago - Pushed at: over 2 years ago - Stars: 0 - Forks: 0

tarranchen/Plotpeak

Convert and plot XRD profiles with peak value.

Size: 4.68 MB - Last synced at: over 1 year ago - Pushed at: over 1 year 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

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

Fuad-HH/plotXRDwith-ggplot2

These R scrips are intended to plot and XRD data from the csv files produced by the RIGAKU Smartlab Xray Diffractometer Analyzer

Language: R - Size: 103 KB - Last synced at: over 1 year ago - Pushed at: almost 3 years ago - Stars: 1 - Forks: 0

aimat-lab/ML4pXRDs

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

Language: Python - Size: 59.7 MB - Last synced at: 5 months ago - Pushed at: almost 2 years ago - Stars: 0 - Forks: 0

blklk/eos

Python code for obtain EOS for data.

Language: Python - Size: 10.7 KB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 0 - Forks: 0

AdamCorrao/GuidedIntegration

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

Language: Python - Size: 44.9 KB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 0 - Forks: 0

MehranMotamedi/Predicting-Point-Defects-in-Silicon-using-LSTM-Neural-Networks

Predicting Point Defects in Silicon using LSTM Neural Networks: A Comparative Analysis of Actual and Predicted Intensity Values

Language: Python - Size: 43 KB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 0 - Forks: 0

blklk/jcpds

jcdps files for XRD peakfitting

Size: 38.1 KB - Last synced at: about 1 year ago - Pushed at: almost 2 years ago - Stars: 0 - Forks: 0

T0T0R/Veusz-ImportDQL

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

Language: Python - Size: 234 KB - Last synced at: almost 2 years ago - Pushed at: almost 3 years ago - Stars: 0 - Forks: 0

kelvinmo/simplexrd

An extraordinarily simple XRD parser written in PHP.

Language: PHP - Size: 22.5 KB - Last synced at: 29 days ago - Pushed at: about 3 years ago - Stars: 0 - Forks: 0

mark6871/SPring-8-February-2021-

LaNd(9%)H10 and CaNdZrH9+x

Size: 334 MB - Last synced at: about 2 years ago - Pushed at: about 3 years ago - Stars: 0 - Forks: 0

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

cheminfo-py/xrd-tools

Tools for (P)XRD prediction

Language: Python - Size: 63.3 MB - Last synced at: 5 days ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 0

Jobenland/XRD-Converter

Generates CSV and XLSX files from raw xrd.out files

Language: Python - Size: 36.1 KB - Last synced at: about 2 years ago - Pushed at: over 5 years ago - Stars: 1 - Forks: 0