Closed sneumann closed 4 years ago
Hi @fiocruz-minas, can you briefly explain how the records were generated ? Some things have changed over time:
moldata.zip
anymore, structures are now stored as SMILES/InChIHi Steffen, I have created single massbank records from simple peak lists using Mass++. Afterwards, I imported them into the Excel type massbank record editor to complete missing fields and linked them to their respective mol-files. Finally, I exported them as the zip-files that I have sent to you. Is there an easier way, more straight forward? Regards, Markus
De: Steffen Neumann notifications@github.com Enviada em: Tuesday, June 30, 2020 3:43 PM Para: MassBank/MassBank-data MassBank-data@noreply.github.com Cc: Markus Kohlhoff markus.kohlhoff@fiocruz.br; Mention mention@noreply.github.com Assunto: Re: [MassBank/MassBank-data] Fiocruz minas master (#130)
Hi @fiocruz-minashttps://github.com/fiocruz-minas, can you briefly explain how the records were generated ? Some things have changed over time:
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Thanks for the response. We are currently trying to collect documentation of different paths to create records, there are (and should be) several alternatives. We'll keep you posted. Yours, Steffen
This PR was included in a different way with 188b0ce. See comments in #129.
Hi, these are the unzipped records from https://github.com/MassBank/MassBank-data/pull/129 by Markus / @fiocruz-minas Let's continue from here. Yours, Steffen