How shall duplicated annotations be handeled?

Metabolomics-MPC / NTAnnotationWorkflow

An R script for the annotation of small-molecule LC-MS data

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How shall duplicated annotations be handeled? #11

Closed chufz closed 2 years ago

chufz commented 2 years ago

If one Feature of the samples fits several spectra of the library, shall only the annotation of the match with the highest score be stored? Alignment between the rowData to the assay in the SummarizedExperiment will otherwise be difficult. It is implemented like this in the next PR, but maybe there is a way to keep the other matches as well.

chufz commented 2 years ago

So the idea is now that the user selects the best matching annotation, and then the verified Objects are aligned to the SE, so therefore no duplicated entries should exist in the further workflow.