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MassBank / MassBank-data

Official repository of open data MassBank records
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Dev #225

Closed anjuraj15 closed 1 year ago

anjuraj15 commented 1 year ago

Hi Rene,

We updated our existing records with additional information and deprecated some of the records due to wrong annotation.

Thanks, Anjana

schymane commented 1 year ago

See also https://github.com/MassBank/RMassBank/issues/331 Unfortunately the commit fixing the SMILES got merged into the big set ...

Pls let us know if you need any more info @meier-rene

meier-rene commented 1 year ago

Thank you for your contribution. The SMILES issue is known and I gave some explanations in https://github.com/MassBank/RMassBank/issues/331. For these particular 5 compounds the SMILES without cis/trans information are actually a better choice.

There was one minor issue with your contribution: There were modifications to records which were DEPRECATED before. DEPRECATED records should not be touched after deprecation. LCSB/MSBNK-LCSB-LU08010 and LCSB/MSBNK-LCSB-LU09280 are the affected files. I need to think about a technical solution to prevent that in the future.

I took these changes out of the commit and committed again. The remaining changes were manually merged by me. Thats why I will close this PR but all your changes (except the ones on the deprecated records) are merged into the dev branch.

meier-rene commented 1 year ago

Thank you one more time. All merged.

meier-rene commented 1 year ago

One more thing: Because I messed around with your commits its probably better if you reset your repo to remote the branch. Something like 

git fetch origin
git reset --hard origin/dev

or fork again should do the trick.