Nils Hoffmann

@stanstrup I think travis and GitHub CI use different versions of Ubuntu / Debian as part of rocker/verse. The GitHub builder seems to work, so let's just ditch travis?

We also frequently use direct infusion mass spectrometry (DI-MS), which uses *no* separation. Also, there are quite many different specializations of LC-MS-based metabolomics (nanoLC, HILIC, SFC, ...): do we list...

Hi Matthias, that sounds sufficient. Although direct infusion is not really a chromatography type, but since I suspect that chromatographic separation is much more frequently being used, I would be...

`scan polarity` should be required and defined. positive is often the standard, but in lipidomics, we regularly use negative mode for richer fragmentation or even both modes for complementary information....

@ypriverol Instead of pure ISA-Tab, would the MetaboLights flavor of it also work for a start? This study could serve as a starting point: https://www.ebi.ac.uk/metabolights/editor/study/MTBLS1375

@ypriverol @mmattano @TineClaeys I have started test driving / adapting lesSDRF with the MTBLS1129 study here: https://github.com/nilshoffmann/lesSDRF/tree/sdrf_metabolomics to get a better understanding of currently supported fields / columns vs unsupported...

@ypriverol @TineClaeys Please do not misunderstand my intention here. I do not plan to have SDRF for metabolomics supported in lesSDRF until there is a spec, which is also not...