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Include unannotated MS/MS spectra in mzTab-M small_molecule_evidence table #640

@LauraElCam

Description

@LauraElCam

Description:
Currently, the small_molecule_evidence table in mzTab-M only includes features or spectra that have an annotation. This makes it impossible to track MS/MS spectra that were acquired but did not match any known compound.

Proposed change:

  1. Add entries to the small_molecule_evidence table for unannotated MS/MS spectra.
  2. For these entries, populate the following fields:
    • identifier (or name) = null
    • evidence = 0
  3. Introduce a new optional column to indicate MS/MS matching status:
    • opt_global_MSMSmatched → value can be TRUE or FALSE

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