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HUPO-PSI / mzTab

mzTab Reporting MS-based Proteomics and Metabolomics Results
https://hupo-psi.github.io/mzTab
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small_molecule_feature-quantification_unit is mandatory but SMF table is only recommended #147

Closed nilshoffmann closed 6 years ago

nilshoffmann commented 6 years ago

Quoting from the spec:

6.1. Sections mzTab-M files MUST have one Metadata (MTD) section and one Small Molecule (SML) Section. In practice, we expect that most files SHOULD also include one Small Molecule Feature (SMF) section, and one Small Molecule Evidence (SME) Section. Files lacking SMF and SME sections can only present summary data about quantified molecules, without any evidence trail for how those values were derived. It will be left to reading software to determine whether additional validation will be requested such that SMF and SME tables MUST be present.

Should we thus make small_molecule_feature-quantification_unit only mandatory, when SMF records are present?

andrewrobertjones commented 6 years ago

@nilshoffmann will change text in spec doc