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Releases: Arcadia-Science/2025-diyraman-bio

Reproducibility fixes and data documentation

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@sunandascript sunandascript released this 06 Jul 05:55

Post-publication updates to make the repository reproducible and self-documenting.
No published figures or data are changed by this release — the committed base
figures and the shipped processed.zip are the same as at publication. The only
behavior change (medfilt 3 → 5) is in code that regenerates calibration data,
not in the shipped processed spectra.

Reproduction fixes

  • Documented the required data-unpacking step (unzip data/raw.zip and
    data/processed.zip, or make data); previously undocumented, so CSV loading failed.
  • Removed a hardcoded absolute path in generate_figures.ipynb (now relative).
  • Added the missing figures/fig2/ directory so the figure notebook doesn't error on save.
  • Switched generate_figures.ipynb to %matplotlib inline so it runs headlessly.

Documentation

  • README now covers: the data unpacking step and extracted directory tree, the filename
    convention, and a dictionary of the CSV columns and calibration/performance file types.
  • Added the pub DOI, a note that arcadia-pycolor 0.5.1 (pinned in envs/dev.yml) is
    required, a generate_figures step in the workflow, and a note that processed.zip
    lets you skip calibration and reproduce figures directly.
  • generate_figures.ipynb intro now lists the required data and acquisition dates it uses.

Housekeeping

  • Standardized the medfilt kernel to 5 across the calibration notebook and apply_calibration.py.
  • Tk().deiconify()Tk().withdraw() in the calibration notebook.
  • Added make data / make figures / make reproduce targets.
  • Re-zipped the data archives without __MACOSX/.DS_Store junk.
  • Removed the leftover TODO placeholder in the PR template.

2025-diyraman-bio v1.0

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@sunandascript sunandascript released this 21 Feb 23:26
d7bdb74

This release is associated with the pub titled, "DIY Raman spectroscopy for biological research."