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MassBank / MassBank-web

The web server application and directly connected components for a MassBank web server
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New record tag proposals #183

Open schymane opened 5 years ago

schymane commented 5 years ago

Big discussions on integrating raw data over the weekend: https://github.com/MassBank/MassBank-data/issues/79 https://twitter.com/martiwag/status/1145011749554393089

To do this properly we'd (@tsufz and @schymane ) propose a few new tags:

MS$DATA_PROCESSING: SCAN_NUMBER 1234 see https://github.com/MassBank/RMassBank/issues/218

MS$RAW: DOI ... and then to allow links to repositories that may or may not have DOIs, so that we also have the identifier from the repository: MS$RAW: GNPS .... MS$RAW: METABOLIGHTS ... MS$RAW: METABOLOMICSWB ... MS$RAW: ZENODO ...

and these should be done similarly to the CH$LINK: field, i.e. alphabetical order (although in reality we'll rarely have multiple entries)

schymane commented 5 years ago

We'd possibly need a MS$RAW: GNPS COMMENT field to capture this: mzspec:MSV000082791:(-)-epigallocatechin:scan:1000 https://github.com/MassBank/MassBank-data/issues/79#issuecomment-507152013