MassBank / RMassBank

Playground for experiments on the official http://bioconductor.org/packages/devel/bioc/html/RMassBank.html
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Please implement the new accession scheme in RMassBank #315

Closed meier-rene closed 10 months ago

meier-rene commented 2 years ago

Hi, that's just a heads up, the new accession scheme as discussed in MassBank/MassBank-data#84 is implemented in a separate branch on MassBank-data and MassBank-web. The branches are called upload-rest: New record format description is available: https://github.com/MassBank/MassBank-web/blob/upload-rest/Documentation/MassBankRecordFormat.md#211-accession I would appreciate if RMassBank could also implement that change. Yours, Rene

meowcat commented 2 years ago

A first implementation is in 1c96631d; the ACCESSION is now configurable in the settings, e.g.

accessionBuilder: "MSBNK-{contributor_prefix}-{entry_prefix}{compound_id(4)}{scan_id(2)}"

Up to now there are only few options to actually add as variables, more to come (e.g. inchikey)

meowcat commented 2 years ago

Right now, I am not enforcing the existence of contributor_prefix in the settings. In principle, when we require a contributor_prefix this will be a breaking change so we should update the main version number?

tsufz commented 2 years ago

Needs to be discussed. In the case NFDI4Chem contributions increase, the handling of contributor_prefixes will get more messy. We will some contributors, but many new, possible with one time submissions. A manual curation of the list is not meaningful in this case. However, we need to avoid duplicate prefixes as well. @sneumann, just to keep that in mind for any AAI / SSO discussion. The mapping of the contributor_prefixes is then required on several levels (e.g. institution vs. institute or working group / department. E.g. we are UFZ-WANA or so.

meowcat commented 2 years ago

Hm, maybe for this case there could be a blanket "NFDI" contributor for users who think that they will only contribute a few records? Users who later realize they are bigger players could still migrate their records out to their own contributor ID.

tsufz commented 10 months ago

Works