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X-ray diffraction analysis for high pressure science

Project description

PeakPo

DOI

PeakPo is a Python application for X-ray diffraction analysis of samples at high pressure and high temperature.

Major features include:

  • Pressure and temperature estimation
  • Phase identification
  • Two-dimensional data analysis
  • Visual equation-of-state fitting
  • Peak fitting
  • Visual unit-cell fitting
  • Generation of Excel files containing all calculation results

How to install (under development, may be unstable)

Open a terminal and create a new conda environment:

conda create -n peakpo python=3.11 -y

Activate the environment:

conda activate peakpo

Install PeakPo:

pip install peakpo

How to upgrade

Make sure to change environment:

conda activate peakpo
python -m pip install --upgrade peakpo

How to reinstall

Make sure to change environment:

conda activate peakpo
python -m pip install --force-reinstall peakpo

How to install before 7.9.x

Installation wiki page

Installation Google Slides

Where to download executables

I no longer provide executable files. You can still download previous versions from this Google Drive folder.

Where to get help

See the PeakPo wiki for detailed instructions on installation, setup, operation, and updates.

How to cite

S.-H. Shim (2017). PeakPo: A Python software package for X-ray diffraction analysis at high pressure and high temperature. Zenodo. https://doi.org/10.5281/zenodo.810199

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