Where to put relevant meta data information e.g. for major instrument changes?

[Amsoht]

There is another detail to the taunus meta data, that I don't know how to handle it at the moment: the instrument that we refer to as "taunus-tof" within AGAGE had a major hardware change in 2022-09: We got rid of the TOF-ms and used a quadropole-ms instead. However, both taunus-tof and taunus-quad share the same GCWerks licence and hence pretend to be the same instrument. Where should I put this information in order to get it through to the public nc meta data?

[mrghg]

This should be something you can add in GCWerks and have feed through. For example, if you look at the GCWerks CGO Medusa files, there are multiple instruments mentioned in the attributes:

:instrument = "agilent_5975"; :instrument_date = "2012-08-01 00:00:00"; :instrument_comment = "upgraded MSD detector with generally improved precisions"; :instrument_1 = "agilent_5973"; :instrument_date_1 = "2004-01-01 00:00:00"; :instrument_comment_1 = "original MSD detector";

I'm afraid I don't know how you get this into GCWerks though. Also note that there seems to be an issue where some of these values are being overwritten, but I'll fix that (Issue #51 )

[Amsoht]

OK great thank you, I'll have a look and post the gcwerks file name here.

[TaunusObservatory]

I just added the corresponding lines to /agage/taunus-tof/config/gcnetcdf.conf:

#
# The most recent ms detector used
instrument      agilent_5977B
instrument_date     2022-09-07 09:00
instrument_comment  Quadropole MSD with generally improved precisions, however less compounds than the TOF

# previous ms detector
instrument_1        tofwerk_EI-HTOF
instrument_date_1   2015-01-01 00:00
instrument_comment_1    original TOF MSD

and pushed the changes to hubibti. Let's wait a couple of days and see, if the changes make it to the .nc files. Cheers, Thomas

[mrghg]

Is this fixed now? Shall I close this issue?

[joe-pitt]

Actually there is something weird going on here - it looks fine in the individual instruments file for the tof, but the instrument dates don't seem to be correct in the combined file:

 'instrument': 'GCMS-Medusa',
 'instrument_date': '2023-02-05',
 'instrument_comment': '',
 'instrument_1': 'agilent_5977B',
 'instrument_date_1': '2018-05-07',
 'instrument_comment_1': 'Quadropole MSD with generally improved precisions, however less compounds than the TOF',
 'instrument_2': 'tofwerk_EI-HTOF',
 'instrument_date_2': '2015-01-01 00:00',
 'instrument_comment_2': 'original TOF MSD',
 'instrument_type': 'GCMS-Medusa/GCTOFMS',
 'Conventions': 'CF-1.8',