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Fix TargetedMS chromatogram, QC plot, and QC summary exceptions reported to mothership - #1294

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labkey-jeckels merged 4 commits into
developfrom
fb_targetedms_exception_fixes
Oct 12, 2026
Merged

labkey-jeckels merged 4 commits into
developfrom
fb_targetedms_exception_fixes

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@labkey-jeckels labkey-jeckels commented Oct 12, 2026 •

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Rationale

This PR fixes a batch of TargetedMS exceptions reported to mothership across chromatogram rendering, Skyline import, QC outlier calculation, and the QC plot/summary pages. Two of the fixes also correct wrong behavior rather than just suppressing the error: the replicate annotation filter on the peptide/molecule chromatogram grid never worked, and small-molecule precursor chromatograms could map transitions to the wrong traces when a transition filter was active.

Triage notes for these mothership reports: https://claude.ai/artifact/CtxKZANKRqfhZxs7PHEqBr

Changes

  • Chromatogram charts tolerate duplicate series labels, missing sample files or replicates, and transition/chromatogram count mismatches instead of throwing
  • Replicate annotation filtering on the precursor chromatogram grid now produces valid LabKey SQL
  • Small-molecule precursor chromatograms align each transition with its own chromatogram trace, matching the peptide behavior
  • Skyline import fails cleanly when the run is deleted mid-import, and QC outlier calculation handles folders with no metrics
  • QC plot, QC summary, and peptide heatmap pages guard against missing metrics, data rows, and DOM elements, and stale tooltips
  • Added a unit test for duplicate series labels and a Selenium test for the replicate annotation filter

Tasks

  • Claude Code Review
  • Manual Testing - not needed
  • Test Automation

Handle small-molecule transition/index count mismatches, duplicate molecule series labels, sample files not found in the current container, QC folders with no enabled metrics, replicate annotation filters in the precursor pivot query, and runs deleted while their import finishes.
@labkey-jeckels labkey-jeckels self-assigned this Oct 12, 2026
@labkey-jeckels
labkey-jeckels merged commit 6a63355 into develop Oct 12, 2026
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@labkey-jeckels
labkey-jeckels deleted the fb_targetedms_exception_fixes branch October 12, 2026 23:24
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2 participants