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Public Workflows at GNPS
https://gnps.ucsd.edu/
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[FBMN][MZmine] Support for MZmine 3 data format full feature list #822

Closed robinschmid closed 2 years ago

robinschmid commented 2 years ago

We added support to export the full feature list in MZmine 3. The legacy MZmine 2 format is still supported. The formatter will check for MZmine 2 or 3 format and rename some of the columns.

Furthermore, we added support in MZmine to select height or area to export - therefore, one column is added to the table to clarify which intensity measure is used. The rest of the columns are still named "area" in the GNPS output to not interfere with other tools.

mwang87 commented 2 years ago

OK I can add the changes on the input side.

robinschmid commented 2 years ago

The input should be fine: The user will select MZmine (internally as MZMINE2 - which is fine because its not shown to the user) And a csv as quantification table - the parser decides if its MZmine 2 or 3