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S.-H. Dan Shim edited this page Mar 12, 2025 · 19 revisions

PeakPo User Guide

PeakPo is a powerful tool for the rapid analysis of large powder X-ray diffraction datasets. It is specifically designed for synchrotron diffraction data collected using a diamond-anvil cell. With a user-friendly interface, it enables efficient processing and analysis of diffraction data to derive meaningful insights about high-pressure materials.

Key Features

  • Quick Navigation: Seamlessly navigate through large datasets with minimal effort.
  • Diffraction Image and Pattern Comparison: Easily compare diffraction images and patterns for efficient data analysis.
  • Peak Position Overlay: Overlay expected peak positions for candidate phases at specific pressures and temperatures.
  • Unit-Cell Parameter Adjustment: Visualize and adjust unit-cell parameters to align with diffraction peak positions.
  • Peak Fitting: Automatically fit peaks for more precise data interpretation.
  • Unit-Cell Parameter Fitting: Fit unit-cell parameters for accurate phase identification.
  • Publication-Ready Plots: Generate high-quality plots that are ready for publication and further editing in vector graphic software like Illustrator.

Data Saving and Output

Analysis results are saved in the *.dpp file format, which can serve as a template for processing other datasets with common features. This format ensures that your analysis workflows remain consistent across similar data sets.

Additionally, a variety of output files are generated in a folder named [your chi data file name]-param. These files can be used to plot unrolled images, processed diffraction patterns, and unit-cell fit results in external software or through Python scripts in Jupyter notebooks.

PeakPo also supports saving high-quality publication-ready plots in PDF format, which can be further modified in vector graphics software like Illustrator for advanced visual enhancements.

About This Wiki

This wiki serves as an introduction to the basic functions of PeakPo, including installation instructions and guidance on using the software effectively. It is aimed at helping new users get started quickly and providing reference material for advanced usage.

Feedback and Bug Reports

We encourage you to share your feedback, suggestions, and bug reports. Please feel free to contact me at shdshim@gmail.com with any comments or issues.

When reporting bugs, please include the full error message to help us diagnose and address the issue more efficiently.

If you would like to see specific topics covered in this wiki, don't hesitate to reach out and suggest new subjects for inclusion.

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