XRD Crystallography Analyzer

SkillDev tools

X-ray Diffraction skill for crystal structure, phase identification, and crystallite size analysis of nanomaterials

Instructions available. Your AI can read the instructions. Execution depends on the setup they require.

Account requirements not reviewed. Check the skill instructions before use; ahel provides instructions and does not run this skill.

Add ahel to your AI once: Claude, ChatGPT, Cursor, Claude Code or Codex. Then ask it to use this.

Then ask your AI: use the XRD Crystallography Analyzer skill

What this skill tells your AI

The instructions your AI receives, as published by a5c-ai/babysitter in library/specializations/domains/science/nanotechnology/skills/xrd-crystallography-analyzer/SKILL.md and read by ahel’s review.

Purpose

The XRD Crystallography Analyzer skill provides crystallographic characterization of nanomaterials through X-ray diffraction analysis, enabling phase identification, crystallite size determination, and structural refinement.

Capabilities

Phase identification and Rietveld refinement
Crystallite size (Scherrer equation)
Lattice parameter calculation
Preferred orientation analysis
In-situ XRD capabilities
PDF (Pair Distribution Function) analysis

Usage Guidelines

XRD Analysis

Phase Identification
- Match peaks to database entries
- Identify multiple phases
- Assess phase purity
Crystallite Size
- Apply Scherrer equation: D = Kl/(B cos theta)
- Account for instrumental broadening
- Use Williamson-Hall for strain
Structural Refinement
- Perform Rietveld refinement
- Extract lattice parameters
- Quantify phase fractions

Process Integration

Multi-Modal Nanomaterial Characterization Pipeline
Structure-Property Correlation Analysis
Nanoparticle Synthesis Protocol Development

Input Schema

{
  "diffraction_file": "string",
  "analysis_type": "phase_id|crystallite_size|refinement|pdf",
  "wavelength": "number (Angstrom)",
  "expected_phases": ["string"]
}

Output Schema

{
  "phases": [{
    "name": "string",
    "pdf_number": "string",
    "weight_fraction": "number"
  }],
  "crystallite_size": {
    "value": "number (nm)",
    "method": "string"
  },
  "lattice_parameters": {
    "a": "number",
    "b": "number",
    "c": "number",
    "space_group": "string"
  },
  "refinement_quality": {
    "Rwp": "number",
    "chi_squared": "number"
  }
}

Signals

GitHub stars: 2k
Forks: 112
Last commit: Sep 2026

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Item type: skill
Key: xrd-crystallography-analyzer
Source: github.com/a5c-ai/babysitter

github.com/a5c-ai/babysitter