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Add GeoSkills v0.5 data QA and classification foundation - #5

Merged
gronbow merged 2 commits into
mainfrom
feature/data-quality-classification-v0.5
Aug 9, 2026
Merged

Add GeoSkills v0.5 data QA and classification foundation#5
gronbow merged 2 commits into
mainfrom
feature/data-quality-classification-v0.5

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@gronbow

@gronbow gronbow commented Aug 9, 2026

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Summary

  • add count-only, privacy-safe geochemical data QA for sample identifiers, missing/BDL states, invalid cells, nonpositive values, and opt-in major-oxide totals
  • add deterministic same-unit derived ratios without arbitrary formula evaluation or implicit mixed-unit conversion
  • add a versioned generic classification-model foundation with provenance, scientific-review gates, SHA-256 pinning, log-axis support, geometry validation, and boundary/overlap review
  • integrate QA policies, derived definitions, summaries, confirmations, and plan invalidation into the existing recipe → plan → run → report workflow
  • update the Skill instructions, example recipe, user documentation, changelog, and interface metadata

Scientific and privacy boundaries

  • duplicate sample identifiers remain a blocking error
  • major-oxide total thresholds and composition basis must be explicitly supplied and reviewed
  • no new formal classification diagram or literature boundary is registered in this phase
  • shareable plans and reports contain counts and definitions, not sample identifiers, exact source values, or absolute paths
  • local/private data and acceptance outputs are excluded from this PR

Validation

  • Skill structure: quick_validate.pySkill is valid!
  • automated tests: 217 passed
  • synthetic end-to-end major-element workflow: plan ready, run ready, 14 output files
  • scoped shareable-artifact privacy scan: 7 files checked, 0 sample-ID or absolute-path leaks, 0 sensitive source-data CSV files
  • existing REE, spider, Harker, TAS, synthetic, and published-data regressions remain passing

Release status

The candidate review is complete and the user has separately approved merge, the v0.5.0 tag, and a formal GitHub Release. The PR now contains the final 0.5.0 version metadata and dated changelog. Merge only after the updated cross-platform CI matrix passes; create the tag and Release from the verified merge commit.

@gronbow
gronbow marked this pull request as ready for review August 9, 2026 11:29
@gronbow
gronbow merged commit 5083752 into main Aug 9, 2026
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