sneumann
commented
6 years ago Hm, the "AC000001 to AC000292 (should be) already registered" were not yet in the MassBank-data, although they are indeed at https://massbank.eu/MassBank/jsp/RecordDisplay.jsp?id=AC000001&dsn=AAFC The second thing is that we need to include the new AAFC directory into https://github.com/meier-rene/MassBank-data/blob/master/.travis.yml#L8 and finally @Treutler has to fix https://github.com/MassBank/MassBank-web/issues/109 so that the validation works again. Sorry for the inconvenience in the meantime. Yours, Steffen
I have a set of 950 records from Justin Renaud, AAFC. I do not see an AAFC folder (see https://github.com/meier-rene/MassBank-data/issues/2) so am creating a new one. We'll see if this works :-) I have run these through the mbadmin validation. I will send @sneumann and @meier-rene the full csv but in summary:
AC000001 to AC000292 (should be) already registered <= they should be same compounds/spectra with minor formatting changes. Can we actually see what has changed if we replace records?
AC000642 to AC000646 warn: value of required item [CH$COMPOUND_CLASS: ] is not compound class format. AC000882 to AC000887 warn: value of required item [CH$COMPOUND_CLASS: ] is not compound class format. AC000921 to AC000925 warn: value of required item [RECORD_TITLE: ], compound name is not included in the [CH$NAME].
Note to compound class: we print out N/A; at the beginning of our RMassBank exports, and get the same warning, e.g. CH$COMPOUND_CLASS: N/A; Environmental Standard
Note to the name error: I don't see the issue visually. The first CH$NAME entry appears to match the name in the record title to me, but it has two whitespaces not one at the front of both entries, maybe this is the issue? RECORD_TITLE: 4',5-bisdeoxy-dothistromin; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+ CH$NAME: 4',5-bisdeoxy-dothistromin