Parameter optimization for Q-exactive

January 03, 2014, 02:15:22 PM

I have acquired untargeted metabolomics data on Q-Exactive instrument. I am new user of XCMS and would like to optimize pick-picking parameter that best suited for my data. I would like to run different combination of xcms run and select the best one according to result.
Can anyone please let me know how to write xcms program in R with different parameter. For example changing centwave, S/N ration, etc.