Msfinder batch processing update#618
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YukiMatsuzawa merged 4 commits intomasterfrom Aug 26, 2025
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Pull Request Overview
This PR updates the MSFinder batch processing functionality by improving database initialization, fixing structure finding logic, and enhancing isotope spectrum display functionality.
- Moves database initialization from method-level to constructor-level for better performance
- Fixes conditional logic in formula finding and structure search processes
- Updates isotope spectrum display to prioritize experimental data over theoretical data
- Changes axis labels from "Intensity" to "abundance" for consistency
Reviewed Changes
Copilot reviewed 3 out of 3 changed files in this pull request and generated 3 comments.
| File | Description |
|---|---|
| MsfinderObservedMetabolite.cs | Moves MSP database initialization to constructor, fixes formula finding logic, and improves isotope spectrum display |
| InternalMsFinderSingleSpot.cs | Updates isotope spectrum display logic and fixes variable naming |
| InternalMsFinder.cs | Changes axis labels to "abundance" and fixes spectrum initialization |
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src/MSDIAL5/MsdialGuiApp/Model/Search/InternalMsFinderSingleSpot.cs
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src/MSDIAL5/MsdialGuiApp/Model/Search/InternalMsFinderSingleSpot.cs
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