Utilities

Utilities Repository

Welcome to the Utilities repository by Maksim Eremenko. This repository hosts browser-based tools for working with RMC6f configurations, diffuse scattering, and related structural-analysis workflows.

Start Here

Public-facing documentation for the diffuse-scattering utility now lives in the GitHub Pages docs surface:

• Diffuse Scattering Guide
• Diffuse Scattering Examples
• Diffuse Scattering Theory
• Diffuse Scattering Supplementary
• Diffuse Scattering Bibliography
• Diffuse Scattering Troubleshooting
• Utilities Docs Home

Live Demos

• Utilities Home: Utilities Home
• Diffuse Scattering Tool: RMC6f Diffuse Scattering Tool
• Select Subvolume App: RMC6f Select Subvolume App
• PCA KDE Tool: PCA KDE Tool
• PCA SDE Tool: PCA SDE Tool
• Slice Diffuse 3D Tool: RMC Diffuse 3DSlice Tool
• Background Remover: Background Remover Tool
• Format Converter: Diffuse Data Format Converter

Repository Structure

• docs/
  • GitHub Pages documentation entry point.
• RMCProfileUtilities/
  • Source tree for the browser tools.
• RMCProfileUtilities/Diffuse_Scattering/
  • In-browser diffuse-scattering calculator for .rmc6f files.
• RMCProfileUtilities/Diffuse_Scattering/js/
  • Reader, scattering, and diffuse-calculation modules.
• RMCProfileUtilities/Format_Converter/
  • In-browser converter for 3-D diffuse scattering data formats.

Diffuse Scattering Tool

The diffuse-scattering tool computes and visualizes I(h,k,l) directly in the browser from .rmc6f input files. It provides:

• 3D slice-plane visualization
• 2D slice-map visualization
• 3D isosurface rendering
• axis slices, normal-plane slices, and volume-average slices
• neutron, X-ray, and electron scattering options
• CPU and WebGPU computation paths
• export to .dat, .json, .vtk, .cube, slice CSV/SVG, and Plotly HTML/SVG

For the detailed user guide, examples, and theory pages, use the docs links at the top of this README.

Format Converter

The format converter translates 3-D diffuse scattering data between the file formats used by RMCProfile, DISCUS, Yell, Meerkat, and Scatty, entirely in the browser:

• unified data format HDF5 (/scattering/data and /entry/data layouts)
• Yell 1.0 HDF5
• RMCProfile old text format (.dat)
• Scatty VTK (.vtk)

Conversions that need the parent unit cell accept an .rmc6f or unified structure file, or a manually entered cell. See Format_Converter/README.md for details and shipped examples.

Supplementary Material

Backend provenance, scattering-table families, and reproducibility notes are collected in:

• Diffuse Scattering Supplementary

Contribution

Feel free to open issues or submit pull requests for improvements and bug fixes.

License

This repository is distributed under Apache-2.0. See LICENSE.

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