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Public Workflows at GNPS
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error during GNPS molecular networking #860

Closed Vignesh291 closed 1 year ago

Vignesh291 commented 1 year ago

Hello

I am new to using GNPS molecular networking. I am trying to process my mass spec data using the workflow: METABOLOMICS-SNETS-V2 (version release_30). I get the following errors:

"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]"

http://gnps.ucsd.edu/ProteoSAFe/status.jsp?task=155863c5762747f58f6772c26de3ce3f

My data is in centroid mode. I need inputs to solve this issue.

Thanks

mwang87 commented 1 year ago

I dont think these are valid mzML files. I'd recommend using this conversion process:

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