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@robinschmid robinschmid commented Jan 24, 2025

If original feature list is set to be removed we can reuse the rows and features directly.

Cohort study with 500 samples and 21.000 aligned features went from 20 s --> 10 s. Memory should also greatly improve.

2x speed up

  • test for gc
  • test for lc

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I used #2367 to compare the content of the feature lists before and after alignment and they equal for both reusing and copying features - this is in LC-MS. Will now also check GC-EI-MS

@robinschmid robinschmid force-pushed the align-avoid-feature-copy branch from a634b6f to b82001f Compare January 27, 2025 16:11
candidatesInAligned = FeatureListUtils.getCandidatesWithinRanges(mzRange, rtRange,
mobilityRange, baseRowsByMz, true);
} catch (Exception exception) {
System.out.println(exception);
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fix

@SteffenHeu SteffenHeu merged commit 86c512b into mzmine:master Jan 28, 2025
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2 participants