MassBank-data
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MassBank
Official repository of open data MassBank records
Hello, When I am cleaning the massbank data, I found that: ## (1) Confusing name records In **MSBNK-ACES_SU** institute provided datasets, there are suspicious data records. They provided two different...
Hi! Forgive me if this is a dumb question, but is there any way I can import these files into masshunter version b8.0? It seems to only accept .d files....
@hunter-moseley suggested to implement a JSON representation for the records to enhance machine readibility and to account for some future transitions.
Hi @alexchao32 Thanks for your new records in https://github.com/MassBank/MassBank-data/pull/244 :-) We've just crunched the data for PubChem and one SMILES failed the deposition: `CC[N+](CC1=CC(=CC=C1)S(O)(=O)=O)=C1C=CC(C=C1)=C(C1C=CC=CC=1)C1C=CC(=CC=1)N(CC1C=C(C=CC=1)S(O)(=O)=O)CC |c:14,t:21|` Is there any reason for...
Hi René, I am getting the following Validator error: ``` 10:33:21.420 ERROR massbank.cli.Validator - ACCESSION: MSBNK-BAFG-CSL23102611413 10:33:21.420 ERROR massbank.cli.Validator - ^ 10:33:21.420 ERROR massbank.cli.Validator - Error in 'BAFG/MSBNK-BAFG-CSL23102611413.txt'. 10:33:21.473 ERROR...
Dear all, I know nothing about coding. I am trying to import the massbank spectra data into the Thermo Fisher CompoundDiscoverer mzValut. However, I have no idea what to do...
Hi, I have the following validator error (example) ``` 20:53:36.262 ERROR massbank.cli.Validator - ACCESSION: MSBNK-BAFG-CSL23102516856 20:53:36.262 ERROR massbank.cli.Validator - ^ 20:53:36.262 ERROR massbank.cli.Validator - Error in 'BAFG/MSBNK-BAFG-CSL23102516856.txt'. 20:53:36.267 ERROR massbank.cli.Validator...
Details see https://github.com/MassBank/RMassBank/wiki/RMassBank-Workshop-on-29-August-2023-by-NORMAN-Association-%E2%80%90-community-notes
Hi, Thank your for all your effort put in MassBank! I was trying to access its data and realized and are not _synchrone_. This can be easily done by following...
