As part of the X-omics initiative, we aim to design a sample data schema that allows for integration of metabolomics data with other types of omics data. This effort will be in alignment with existing standardization initiatives (metabolomics-elixir).
| File format | Reported data type | Developed by | Specification | Used ontologies or controlled vocabularies | License |
|---|---|---|---|---|---|
| mzML | Mass spectrometry data | PSI-MS: Mass Spectrometry Standards Working Group | mzML specification | PSI-MS CV | |
| ISA-Tab | Metadata on investigation, study, and assay | ISA Commons | ISA specification of metadata model, ISA-Tab format | CC BY-SA 4.0 | |
| mzTab-M | Quantitative results from mass spectrometry-based metabolomics | PSI-MS: Mass Spectrometry Standards Working Group, Metabolomics Standards Initiative (MSI) | mzTab-M file specification |