What is the primary use of this tool?

It is used to calculate crystallite size and microstrain from X-ray diffraction peak data.

How do I account for my XRD machine's specific characteristics?

You can use the `estimate_instrumental_broadening` tool with a standard profile like 'standard_lab_xrd' to find the equipment's width contribution.

Can I perform a full Williamson-Hall analysis?

Yes, by providing multiple peak data points to the `perform_williamson_hall_analysis` tool, you can derive both size and strain.

Crystallite Size Calculator MCP Connector for Claude

A+

Analyze XRD data to determine crystallite size, microstrain, and instrumental broadening.

4 tools Official Updated Oct 1, 2026 Official Vinkius Partner

More Details Connect to Claude

This MCP server provides specialized tools for X-ray Diffraction (XRD) analysis. It allows AI agents to calculate physical characteristics of crystalline materials using the Scherrer equation and Williamson-Hall analysis. Users can determine crystallite size with calculate_scherrer_size, isolate lattice distortions using analyze_microstrain, and account for equipment effects via estimate_instrumental_broadening. For a complete material profile, perform_williamson_hall_analysis combines these factors to provide both average size and microstrain.

xrdcrystallographyscherrermicrostrainphysics

Connect to Claude

Subscribe on Vinkius, then add this connector to Claude.ai or Claude Code.

① Claude.ai (web app)

Go to Settings → Connectors → Add custom connector
Paste the MCP endpoint URL below

https://edge.vinkius.com/vk_preview_SGpGYNjR3ctR908g4mNz4H0F3QGkXydlg1iE2gGi/mcp

② Claude Code (terminal)

claude mcp add --transport http crystallite-size-calculator https://edge.vinkius.com/vk_preview_SGpGYNjR3ctR908g4mNz4H0F3QGkXydlg1iE2gGi/mcp

③ Claude Desktop

Add to claude_desktop_config.json:

{
  "mcpServers": {
    "crystallite-size-calculator": {
      "url": "https://edge.vinkius.com/vk_preview_SGpGYNjR3ctR908g4mNz4H0F3QGkXydlg1iE2gGi/mcp"
    }
  }
}

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