KeyError: 'Alignment ID'

[Michael Russelle Alvarez]

Hi,

I am trying to run FBMN on MSe acquired metabolomics data. I analyzed them first using MS-DIAL then exported the files needed for FBMN. However, I keep getting this error:

MSDIAL Traceback (most recent call last): File "/data/ccms-gnps/tools/feature-based-molecular-networking/release_27/scripts/reformat_quantification.py", line 134, in <module> main() File "/data/ccms-gnps/tools/feature-based-molecular-networking/release_27/scripts/reformat_quantification.py", line 74, in main msdial_formatter.convert_to_feature_csv(args.quantification_table, args.quantification_table_reformatted) File "/data/ccms-gnps/tools/feature-based-molecular-networking/release_27/scripts/msdial_formatter.py", line 27, in convert_to_feature_csv scan = record["Alignment ID"] KeyError: 'Alignment ID' Tool execution terminates abnormally with exit code [1]

The job ID is: ID=ccd6dbca542245108e1374d652ca4e36

Thanks!

[Mingxun Wang]

It seems the output format of the quantification table is not what GNPS expects and might depend on the version of MS-Dial you are using. Were you able to follow the recommended settings here:

https://ccms-ucsd.github.io/GNPSDocumentation/featurebasedmolecularnetworking-with-ms-dial/#export-the-files-for-gnps-fbmn

Specifically on the export checking the GNPS export? 

If you're still having issues, it might be better to interactively look at it together, you can swing by GNPS office hours:

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

Ming

[Michael Russelle Alvarez]

It's working now, thanks! I think I uploaded the wrong file before