Mgf file input consistently fails

[Matthew Sheltra]

Hi Everyone,

I've processed some information in MZmine3.1 and I exported the aligned gap-filled list as a .mgf file. However, each time I try to run that file as a job in GNPS to get a better idea about the relationships, I get the following message:

"ERROR: ExecMsCluster.cpp : 192: Error executing MsCluster ERROR: ExecMsCluster.cpp : 193: Check data is centroided and not profile ERROR: main_specnets.cpp : 1040: Problem encountered during MsCluster stage Tool execution terminates abnormally with exit code [1]"

I'm new to GNPS, but I'm fairly confident my data is in centroid mode. Any ideas as to what I should do to resolve the issue?

Thank very much!

[Mingxun Wang]

Hi Matt,

I think you'll want to run Feature Based Molecular Netwroking rather than classical molecular networking. 

https://ccms-ucsd.github.io/GNPSDocumentation/featurebasedmolecularnetworking/

Best,

Ming

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[Matthew Sheltra]

Hi Ming,

That makes alot more sense than what I was trying to do. I didn't realize there was another workflow input page. 

Thanks!

Matt