Upload to Panorama error - ERROR: MoleculeId: Value is too long for column 'MoleculeId'

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Upload to Panorama error - ERROR: MoleculeId: Value is too long for column 'MoleculeId' emmanuel varesio  2020-04-23 10:06:31
 

Hi,

I'm setting up two similar autoQC configurations for either ACN or MeOH gradient SST with the same LCMS QC mix for a Waters H-Class - G2 TOF MS.

Raw data filenames are similar, folder names for each solvent are similar, the two Skyline template files have the same molecule names and transitions for MH+ .... in brief everything is the same except that it's either ACN or MeOH written in the names.

When running the MeOH AutoQC loader config this works fine, but when switching to ACN dataset I got the following error message at the stage when the Skyline zip file is apparently uploaded to Panorama server.

Any help appreciated.

Best,

Emmanuel


23 Apr 2020 09:53:26,365 INFO : Starting to run task 'org.labkey.targetedms.pipeline.TargetedMSImportTask' at location 'webserver-high-priority'
23 Apr 2020 09:53:26,392 INFO : Starting to import Skyline document from QC_Xevo-ACN_LCMS_QCmix_PrecOnly_2020-04-23_18-52-59.sky.zip
23 Apr 2020 09:53:26,395 INFO : Expanding QC_Xevo-ACN_LCMS_QCmix_PrecOnly.skyd
23 Apr 2020 09:53:26,451 INFO : Expanding QC_Xevo-ACN_LCMS_QCmix_PrecOnly.sky.view
23 Apr 2020 09:53:26,464 INFO : Expanding QC_Xevo-ACN_LCMS_QCmix_PrecOnly.sky
23 Apr 2020 09:53:26,476 WARN : The version of this Skyline document is 20.11. This is newer than the highest supported version 4.1
23 Apr 2020 09:53:26,486 INFO : 8% Done
23 Apr 2020 09:53:26,851 INFO : 11% Done
23 Apr 2020 09:53:26,852 INFO : Inserting QC-Xevo_LC_ACN
23 Apr 2020 09:53:26,865 INFO : 16% Done
23 Apr 2020 09:53:26,895 INFO : 19% Done
23 Apr 2020 09:53:26,918 INFO : 27% Done
23 Apr 2020 09:53:26,939 INFO : 31% Done
23 Apr 2020 09:53:26,978 INFO : 39% Done
23 Apr 2020 09:53:27,001 INFO : 43% Done
23 Apr 2020 09:53:27,021 INFO : 50% Done
23 Apr 2020 09:53:27,102 INFO : 55% Done
23 Apr 2020 09:53:27,630 INFO : Failed to complete task 'org.labkey.targetedms.pipeline.TargetedMSImportTask'
23 Apr 2020 09:53:27,633 ERROR: MoleculeId: Value is too long for column 'MoleculeId', a maximum length of 200 is allowed. Supplied value was 241 characters long.
Caused by: MoleculeId: Value is too long for column 'MoleculeId', a maximum length of 200 is allowed. Supplied value was 241 characters long.
23 Apr 2020 09:53:27,729 ERROR: MoleculeId: Value is too long for column 'MoleculeId', a maximum length of 200 is allowed. Supplied value was 241 characters long.
org.labkey.api.query.RuntimeValidationException: MoleculeId: Value is too long for column 'MoleculeId', a maximum length of 200 is allowed. Supplied value was 241 characters long.
Caused by: MoleculeId: Value is too long for column 'MoleculeId', a maximum length of 200 is allowed. Supplied value was 241 characters long.

 
 
vsharma responded:  2020-04-23 17:14:44

Hi Emmanuel,

As we discussed over email, we need to increase the length of the database column on PanoramaWeb that stores the chemical identifier strings for small molecules. This should be done in a day or two.
Also discussed over email, the difference between the ACN and MeOH documents is that you used InChI identifiers of one and SMILES for the other. Some of the InChI identifiers were longer and exceeded the 200 character limit for the column.

Thanks,
Vagisha