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@ansgarkorf ansgarkorf commented Jul 5, 2024

Optimized rt normalization:

  • Speed improved
  • Enable correction if only one standard was found
  • Introduce error message for false parameters
  • Added feature type delta RT correction to allow user to review rt correction results
  • TODO: rename to RT correction

Documentation update: open PR

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@SteffenHeu SteffenHeu left a comment

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Looks good, pelase sort the feature lists by descending number of features first

Comment on lines 259 to 260
float correctedRt = (float) (normalizedRT - originalRT);
normalizedFeature.set(RtAbsoluteCorrectionType.class, correctedRt);
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please add this to the javadoc of the RtAbsoluteCorrectionType, so it's always calculated in the same way.

@SteffenHeu SteffenHeu merged commit 0c51035 into mzmine:master Jul 11, 2024
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