Resources

Data-analysis environment for peak identification, peak fitting, and unit-cell refinement with 1D and 2D powder diffraction data, designed for quick navigation through large synchrotron datasets.

Desktop application for processing Raman spectroscopy data, adapted from PeakPo and refocused for high-pressure Raman experiments.

Flexible tools for pressure-scale calculations, pressure conversion, and fitting pressure-volume and pressure-volume-temperature datasets to a range of equations and combinations.

Standalone GUI for automated batch processing of X-ray diffraction image files using Dioptas.

Notebook for calculating hydrogen content in FeHx alloys from alloy volume expansion using the DFT-based approach described in Piet et al. (2023, GRL).

A Jupyter notebook version of the original UnitCell app, providing a robust outlier-finding scheme for improved unit-cell fitting.

Demonstrates fast and accurate inverse Birch-Murnaghan equation fitting using a universal spline-function approach.

Utilities to create JCPDS files from CIFs, edit existing JCPDS files, and check them for errors to support stable use with PeakPo and Dioptas.

A lightweight utility for calculating pressure from ruby fluorescence peak positions, designed to respond quickly and run easily from portable drives.

• Registration/Template/Editor
• LaTeX basics
• Equations and Reactions
• Tables and Figures
• Citations and References
• Tracking, Revision, Commenting
• Prepare for arXiv submission

• Tutorials on Zotero-Obsidian Integration setup

Coming soon.

Overleaf (through ASU), Google (through ASU), Dropbox (through ASU), Evernote, Zotero, Zenodo, and GitHub.

Gallery of mineral-physics data-analysis notebooks and figures from recent Shim Lab papers.

Synchrotron data folder for group data is coming soon.