mat-xrd-digitizer
OfficialTurn XRD screenshots into .xy data.
Education & Research#data synthesis#phase analysis#xrd#digitization#materials characterization#peak extraction#pseudo-voigt
Authorlearningmatter-mit
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Converts an image or screenshot of an X-Ray Diffraction (XRD) plot into a digitized numeric .xy dataset that downstream phase-matching and refinement tools can use.
Core Features & Use Cases
- Visual peak extraction: Uses the agent’s Vision/Language Model to identify major (and minor) peak positions (2θ) and approximate relative intensities from a provided plot image.
- Pseudo-Voigt reconstruction: Translates extracted peaks into a continuous synthetic XRD profile using pseudo-Voigt peak shapes plus configurable background and noise.
- Downstream-ready output: Produces an .xy file (2θ vs intensity/counts) suitable for tools such as mat-xrd-phase-analysis, enabling workflow automation from literature plots to computable data.
Quick Start
Upload the XRD plot image, instruct the agent to extract all visible peaks into a peaks.json file, then run the digitize_plot.py script to generate digitized_plot.xy for use in mat-xrd-phase-analysis.
Dependency Matrix
Required Modules
numpy
Components
scriptsreferences
💻 Claude Code Installation
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Please help me install this Skill: Name: mat-xrd-digitizer Download link: https://github.com/learningmatter-mit/AtomisticSkills/archive/main.zip#mat-xrd-digitizer Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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