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Schema Reference Overview

This section provides complete technical documentation for all data models in the nomad-dtu-nanolab-plugin. These schemas capture the materials discovery workflow at DTU Nanolab, from managing lab inventory to synthesizing samples to performing characterization measurements.

Understanding the Concepts

If you're new to the plugin, start with the Explanation section to understand the data model philosophy, workflow concepts, and characterization techniques. This reference section focuses on technical schema details.

By Lab Activity

Looking for schemas related to specific activities?

Managing inventory? → Lab Inventory & Items

Synthesizing samples? → Synthesis & Processing

Characterizing materials? → Characterization

Analyzing data? → Data Analysis

By Schema Type

All schemas are listed in the navigation menu organized by their role in the materials discovery workflow. Each page provides:

  • Practical context for when and how to use the schema
  • Complete auto-generated technical documentation
  • Links to related schemas

Lab Inventory & Items

Physical items managed in the lab:

  • Samples and Libraries - Combinatorial libraries and individual samples created from synthesis or cleaving
  • Substrates - Base materials for deposition, tracked in batches
  • Targets - Sputter deposition source materials with composition and power tracking
  • Gas Supplies - Gas cylinders with cylinder numbers and supply management
  • Instruments - Laboratory equipment with capabilities and configurations

Synthesis & Processing

Fabrication and sample preparation processes:

Characterization

Measurement techniques for materials characterization:

Characterization file formats

Method Machine Supplier Proprietary File Manual export Plugin Class Comment
Energy Dispersive X-Ray Spectroscopy (EDX) Thermofisher Scientific .oipx (.zip w/ data) .xlsx DTUEDXMeasurement The .xlsx contains the elemental composition data and corner positions
Spectroscopic Ellipsometry J.A. Woollam .se/.sesnap .txt (n&k) .txt (param.) .txt (raw) DTUEllipsometryMeasurement -
Photoluminescence mapping tba tba tba DTUPLMeasurement adjustments from old to new system ongoing
Raman Spectroscopy Renishaw .wdf - DTURamanMeasurement -
Reflection/Transmission (RT) Agilent .bsw .csv (data) .csv (grid) DtuAutosamplerMeasurement Up to 12 combinatorial libraries in a file. Needs to be combined with custom grid.csv file
X-ray Photoelectron Spectroscopy (XPS) Thermofisher Scientific [.vgx] (.zip w/ data) .txt]() (spectra) [.txt (analysis) DTUXpsMeasurement Upload native file for provenance and exported text files for parsing
X-Ray Diffraction (XRD) Rigaku .rasx - DTUXRDMeasurement Each file is a single measurement

Data Analysis

Computational analysis and data processing:

  • Jupyter Analysis - Python-based data analysis workflows with notebook integration

Additional Resources

Adapting for Your Lab

These schemas are designed for DTU Nanolab's Materials Discovery group but can serve as a template for similar labs. See the Adapt for Your Lab guide for customization guidance.