Add different ppm/tollerance/rt parameters for MS1/MS2 annotation

Metabolomics-MPC / NTAnnotationWorkflow

An R script for the annotation of small-molecule LC-MS data

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Add different ppm/tollerance/rt parameters for MS1/MS2 annotation #14

Closed chufz closed 2 years ago

chufz commented 2 years ago

May it will be beneficial to have two separate parameters for MS1/MS2? To be more precise in the MS1 annotation, and still tolerate those spectral libraries are may be acquired by MS with lower resolution? If you agree, I will change this.

michaelwitting commented 2 years ago

Yes, I think it is fair to have different parameters for MS1 and MS2. Please adjust accordingly.