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The format of experiment file of Waters MSE data on MS-DIAL #859

Closed mhlsalvia closed 1 year ago

mhlsalvia commented 1 year ago

Dear developer, My MES data were from Waters X2GS-QTof, and the low collision energy was 6 eV and the high collision energy ranged from 30 to 50 eV. When I dealt with Waters MSE data by MS-DIAL, it was needed to load an experiment file. I am not sure if the format of my experiment file was correct, so please help me to review whether the format of my experiment file was correct. My experiment file is as follow. Thanks for your help, regards

ID MS Type Start m/z End m/z Name CollisionEnergy DecTarget 0 ALL 50 1200 MS2 40 1 1 ALL 50 1200 MS2 50 1 2 SCAN 50 1200 MS1 6 1

mwang87 commented 1 year ago

Here is the documentation to getting the output of MS-DIAL to work with GNPS: https://ccms-ucsd.github.io/GNPSDocumentation/featurebasedmolecularnetworking-with-ms-dial/