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Add public repository reanalysis workflow - #7

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htsugawa wants to merge 10 commits into
fix/console-info-rtcorrection-compatfrom
feature/public-repository-reanalysis
Open

Add public repository reanalysis workflow#7
htsugawa wants to merge 10 commits into
fix/console-info-rtcorrection-compatfrom
feature/public-repository-reanalysis

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@htsugawa

@htsugawa htsugawa commented Aug 24, 2026

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Summary

  • add repository adapters for Metabolomics Workbench, MetaboLights, and MB-POST
  • select lightweight untargeted GC-MS and scan-based LC-MS projects reproducibly
  • add a visual repository metadata handler that preserves source values and projects a user-defined field hierarchy into the single MS-DIAL Class column
  • expose repository metadata inspection, class projection, and reviewed metadata export through the CLI, HTTP agent API, MCP server, and guided-analysis skill
  • retain repository and publication provenance, reviewed sample metadata, MS-DIAL import metadata, methods, peak/alignment/mzTab-M outputs, and checksums after raw-data cleanup
  • archive .dcl, .arf, .arf2, and .mdproject files into an integrity-checked ZIP before cleanup
  • add bounded download leases, checksum verification, safe archive extraction, raw metadata preflight, and validation-gated cleanup
  • recognize Shimadzu LCD/QGD inputs and make guided workflows resilient to stale saved resource paths
  • document pilot selection, metadata review, artifact retention, and end-to-end reanalysis results

Validation

  • 90 Python tests passed
  • Python compile, JavaScript syntax, and git diff --check passed
  • browser-tested repository metadata inspection, hierarchy selection, and Class preview with ST002419
  • verified detailed metadata extraction with ST002419, MTBLS341, and MPST000007
  • MTBLS341: mzTab-M passed with 410 SML/SMF rows
  • ST002419: mzTab-M passed with 823 SML/SMF rows
  • MPST000007: mzTab-M passed with 2448 SML/SMF rows
  • raw leases were removed only after validated outputs and publication artifacts were retained

Dependency

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