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MassBank / MassBank-data

Official repository of open data MassBank records
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Contribution of few UA MB records #36

Closed nalygizakis closed 5 years ago

nalygizakis commented 5 years ago

Hi Rene,

Find attached the revised records. Let me know if you find any mistakes.

Kind Regards, Nikiforos

meier-rene commented 5 years ago

Thank you. Most of the filename/accesion issues are solved. Hopefully we can sort out the remaining issues and merge these records. I have some questions:

  1. The following files are overwriting existing records: AU105001.txt AU220203.txt AU220204.txt AU220205.txt Although the measured compounds are the same, the experimental techniques look different to me. This means these records will be lost after the merge. Is this intended? Were they erroneous?

  2. AU117210.txt has ACCESSION: AU1172410 This doesn't match and 9 characters is not supported atm. Is this a typo and it should be ACCESSION: AU117210?

  3. AU2137017.txt and AU2137018.txt have 9 charactors long ACCESSION. This is not supported. What should we do with these two spectra?

The remaining files have some other issues which I can probably fix.

nalygizakis commented 5 years ago

Hi and thanks for your response.

  1. Can you rename the records (AU105001.txt AU220203.txt AU220204.txt AU220205.txt) to AU105007.txt AU220209.txt AU220210.txt AU220211.txt respectively and change ACCESSION accordingly?

  2. This is a typo. Change ACCESSION to AU117210

  3. Can you change AU2137017.txt and AU2137018.txt to AU213717.txt and AU213718.txt respectively?

meier-rene commented 5 years ago

I forked the repo with your pull request and changed these names and ACCESSIONS there. After fixing all remaining issues I will create a new PR from my repo with your new records and my changes to them and merge them to the main repo. Additionally I will give you a list with things you could change If you will submit/resubmit new/changed records.

meier-rene commented 5 years ago

List of things to change for next time: -Please update to latest RMassBank -There are probably some strange non ASCII characters in your compound lists, please check Methylprednisolone, Atorvastatin, Droperidol, Amphetamine, Darunavir

nalygizakis commented 5 years ago

Thanks for the advice. You will receive new records from me using new RMassBank soon. Thanks a lot for your effort.

meier-rene commented 5 years ago

Ok, all things are fixed now and put together in #37, so I will close this one. New contributions are always welcome. Thanks for your support.