ipb-halle / MetFragR

R package for MetFrag
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Support for mzTab-M #23

Open sneumann opened 5 years ago

sneumann commented 5 years ago

Hi, the 6.5. Small Molecule Evidence (SME) Section (https://hupo-psi.github.io/mzTab/2_0-metabolomics-draft/mzTab_format_specification_2_0-M_draft.html#small-molecule-evidence-sme-section) of the mzTab-M format can be used to encode information how a compound was identified. It would be great if metfragR could emit output/rows suitable for incorporation into mzTab-M. Yours, Steffen