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feat: add Waters LC-MS workflows and guide layout - #29

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nmrtist merged 1 commit into
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feat/waters-lcms-and-guide-layout
Aug 1, 2026
Merged

nmrtist merged 1 commit into
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feat/waters-lcms-and-guide-layout

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@nmrtist nmrtist commented Aug 1, 2026

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Summary

  • Add validated Waters MassLynx RAW import for LC–MS runs, including supported MS functions and optical detector channels.
  • Add TIC/BPI display, scan preview, retention-time selection, and extracted mass-spectrum workflows.
  • Persist LC–MS function selection, typed extraction identities, extraction provenance, field catalogs, and page layout in PlotX projects.
  • Add nearest-scan, peak-apex, mean, and summed spectrum extraction algorithms in plotx-analysis.
  • Add capability-driven field rendering and interaction routing for LC–MS data.
  • Extend legend and color-scale layout controls across screen, SVG, and EMF rendering.
  • Update English and Simplified Chinese documentation for LC–MS import, analysis, and guide layout.

Implementation notes

  • LC–MS extraction actions copy only lightweight metadata and borrow the underlying run.
  • Project decoding validates readable MS functions and payload sizes before allocation.
  • Unsupported required Waters encodings produce actionable import errors; unsupported optional or reference functions produce warnings.
  • LC–MS processed-data export remains unavailable until snapshot capture is implemented.
  • Extracted spectra use stable typed IDs across actions, fields, the Data Browser, and persistence boundaries.

Validation

  • cargo pr-check
  • npm run build — all 71 documentation pages built successfully.

Add validated MassLynx RAW import, chromatogram and spectrum workflows, typed extraction state, project persistence, and analysis support. Extend legend and color-scale layout controls across screen and export renderers, with aligned user documentation.

Validation: cargo pr-check; npm run build (71 pages)
@nmrtist
nmrtist merged commit 9aafad4 into main Aug 1, 2026
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@nmrtist
nmrtist deleted the feat/waters-lcms-and-guide-layout branch August 1, 2026 03:07
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