CCMS-UCSD / GNPSDocumentation

Documentation for GNPS and related tools as written in mkdocs
https://ccms-ucsd.github.io/GNPSDocumentation/
MIT License
36 stars 83 forks source link

Dereplicator+/MolDiscovery analysis of MZmine 2 obtained .mgf file #375

Open Rommelio-coli opened 1 year ago

Rommelio-coli commented 1 year ago

Hello

I would like to report an issue while using Dereplicator+/MolDiscovery tools. When I analyze an .mgf file obtained after peak-picking processing through MZmine 2.53, I get no annotations. It's only possible if I analyze an .mzML/.mzXML file directly or the clustered .mgf file obtained from classical molecular networking.

I suggest modifing this tools for them to be able to process peak-picking .mgf files, as the identifiers can ease further analysis and network annotation enrichment for feature-based molecular networking jobs, as they do for classical molecular networking jobs.

Thank you in advance for reading my suggestion.