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We'd possibly need a MS$RAW: GNPS COMMENT field to capture this: |
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schymane commentedJul 1, 2019
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edited
Big discussions on integrating raw data over the weekend:
MassBank/MassBank-data#79
https://twitter.com/martiwag/status/1145011749554393089
To do this properly we'd (@tsufz and @schymane ) propose a few new tags:
MS$DATA_PROCESSING: SCAN_NUMBER 1234
see MassBank/RMassBank#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)