ATS Model Data Archive (MDA) Reporting Format v 1.0.0

About

This repository provides a lightweight reporting format and an accompanying workflow notebook for packaging results from Advanced Terrestrial Simulator (ATS) simulations as a Model Data Archive (MDA) suitable for publication and long-term stewardship (e.g., in ESS-DIVE).

The intent is to help ATS users produce a package that is:

• Curated (contains the files you intend to publish, without unnecessary intermediates),
• Documented (includes file-level metadata and a data dictionary for tabular outputs), and
• Transferable (optional archiving/splitting support for large directories).

What this repository provides

• ats_mda_workflow.ipynb: the end-to-end workflow notebook (copy → cleanup → metadata tables → optional packaging).
• instructions.md: background and a step-by-step guide aligned with the notebook.
• Templates generated by the workflow:
  • flmd.csv (File Level Metadata)
  • dd.csv (Data Dictionary)

What the workflow produces

Running the notebook against an ATS simulation directory produces a curated destination directory (commonly named my_ATS_MDA/) that contains:

• selected input/output artifacts (based on include rules you configure),
• flmd.csv and dd.csv, and optionally:
• sha256sums.txt (checksum manifest for integrity verification),
• one *.tar.gz per top-level subdirectory (e.g., run0.tar.gz, run1.tar.gz), with optional splitting into *.partNNN files when archives exceed 5 GiB.

Quickstart Guide

1. Read instructions.md to understand the expected package contents and the workflow steps.
2. Edit the configuration block in ats_mda_workflow.ipynb to point to your simulation directory and choose what to include.
3. Run the notebook to generate my_ATS_MDA/, flmd.csv, and dd.csv (and optional packaging outputs).
4. Review the curated directory and edit flmd.csv / dd.csv to ensure descriptions and definitions are accurate.
5. Submit the curated package to ESS-DIVE using their submission workflow.

How to contribute

Report issues at https://github.com/ess-dive-workspace/essdive-ATS-model-data-archiving/issues.

ESS-DIVE support email: ess-dive-support at lbl.gov

License

This repository content is licensed for use under the CC BY 4.0 license

Funding and acknowledgments

Funding for the development of ESS-DIVE's ATS Model Data Archive (MDA) Standard was provided by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, Climate and Environmental Science Division, Data Management program under contract number DE-AC02-05CH11231.

Recommended citation

References