Workflow

0- Pretreatment

1. FT-ICR MS files should be compressed using pretreatFTICR.R to enable analysis

1- Analysis

1. put MS files in data folder or a sub-folder

2. put DMS files in data

3. create taskTable and tgTable input files in data folder

4. edit and run analysis.R

   • enter the file paths to the taskTable and tgTable files
   • choose the type of peak fit (variable fit_dim)

2- Quantification

1. create quantTable in data folder

2. edit and run checkRep.R and/or quantify.R

   • enter the file paths to the taskTable and quantTable files
   • choose the type of peak fit (variable fit_dim) used in the analysis step