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[FEATURE] - GUI, Feature Filter by Minimum Scores #210

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zglong1 opened this issue Oct 23, 2024 · 1 comment
Open

[FEATURE] - GUI, Feature Filter by Minimum Scores #210

zglong1 opened this issue Oct 23, 2024 · 1 comment

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@zglong1
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zglong1 commented Oct 23, 2024

Feature Description:
A (set of) filter(s), ideally also applying when exporting summaries, that let you filter out any features with no matching structures, above/below certain quality metrics (Tanimoto score, precursor error, MS2 error, etc.)

Use Case / Problem Description
Adding basic filtering based on user-defined thresholds of the abundance of quality metrics available (CSI FinderID, Tanimoto similarity, MS1 and MS2 error, etc.) seems simple enough, and given the existence of the GUI, it seems like it should be a feature there without having to use API calls to do this level of filtering.

Benefits
Time savings for users who use the GUI and have thresholds for quality metrics to filter out bad hits, in a way that doesn't involve manually checking thousands of features.

@zglong1
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zglong1 commented Oct 23, 2024

Example:
Export a project summary, but only export hits with formulas having >=25% peaks (and/or absolute threshold of at least three peaks) explained, explained intensity >=33%, and a structure associated that has >=70% Tanimoto similarity. Just to filter out garbage hits.

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