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Welcome to the Open MultiDimensional Spectroscopy (OpenMDS) wiki!

The purpose of this project is to enable the multidimensional spectroscopy community to adopt the principles of Open Science. Research data should be Findable, Accessible, Interoperable, and Reusable (FAIR). Data analysis codes should be Transparent, Reproducible, Usable by others, and Extensible (TRUE). To enable both research collaborations and the "fourth paradigm" of data-intensive discovery, research data need standards for the data and metadata as well as platforms to disseminate data. The data and metadata should support modern paradigms for fully annotated research data, such as SciData. Currently, the community of researchers in multidimensional spectroscopy have no infrastructure that helps achieve these goals. That is the purpose of this project.

The OpenMDS Project aims to

1. develop community standards for multidimensional spectroscopic data, metadata, and data analysis
2. serve the experimental and computational communities in academia, national laboratories, and industry
3. provide a reference implementation of these standards
4. provide tools to adopt complete descriptions of experiments, their data, and their metadata, such as SciData
5. provide the technical foundation for platforms to host, link, and search OpenMDS data
6. provide reference implementations for the analysis of data

• Status

• Plans

• Documentation

  • Tutorials
  • Demos
  • User guide
  • Developer Guide
    • Mac/Linux
    • Windows

Status

The project is currently (April 2024) in the alpha phases of development. Current accomplishments include

• A proposed "atomic" data specification that
  • accommodates all spectroscopies that can be expressed in the language of nonlinear spectroscopy
  • includes internal documentation for units, accepts arbitrary frequency- and time-domain data
  • placeholders for raw data, processed data, and data fits
• A reference implementation of importers and exporters to that format in Python and Matlab
• A demonstration file format, saved as HDF5, with accompanying demonstration SciData.
• A tool to transcode a markup file into SciData's JSON-LD, which itself can be translated into RDF triples

Plans

• Refine the atomic data format
• Identify collaborators
• Draft importers/exporters for these other labs' native file formats