MassBank / MassBank-data

Official repository of open data MassBank records
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Strange naming in old records #96

Open schymane opened 5 years ago

schymane commented 5 years ago

I'm not sure how this got through the validator but it doesn't look like these meet the Record Format requirements? @meier-rene can you look into this? Thanks!

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Multiple names in the title field, including names that are clearly wrong (e.g. including the metal salt - sodium and lithium)

This was the query I ran: https://massbank.eu/MassBank/Result.jsp?compound=&op1=and&mz=&tol=0.3&op2=and&formula=C4H6O3&type=quick&searchType=keyword&sortKey=not&sortAction=1&pageNo=1&exec=&inst_grp=ESI&inst=CE-ESI-TOF&inst=ESI-ITFT&inst=ESI-ITTOF&inst=ESI-QIT&inst=ESI-QTOF&inst=ESI-TOF&inst=LC-ESI-IT&inst=LC-ESI-ITFT&inst=LC-ESI-ITTOF&inst=LC-ESI-Q&inst=LC-ESI-QFT&inst=LC-ESI-QIT&inst=LC-ESI-QQ&inst=LC-ESI-QQQ&inst=LC-ESI-QTOF&inst=LC-ESI-TOF&ms=MS2&ion=0

schymane commented 5 years ago

We have received the following feedback regarding this issue: The dataset (PS... series), we produced 2008, have been rejected by Japan MassBank team due to poor data quality (sorry..). We are very glad if you kindly remove such wrong data from NORMAN MassBank data repository.

@meier-rene @sneumann are you able to take care of this? Thanks! Seems like a good case for deprecation?

sneumann commented 4 years ago

So we need to deprecate these: grep -l 10.1093/pcp/pcn183 MassBank-data/RIKEN_ReSpect/*

Just to confirm, this is about the 3604 records associated with the publication 10.1093/pcp/pcn183 marked as either "Build 4" or "Build 5", all measured on a Waters TQD. Deprecation procedure was discussed in https://github.com/MassBank/MassBank-web/issues/171#issuecomment-490149468

Yours, Steffen