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Topics - yashwant

1
XCMS / Parameter optimization for Q-exactive
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.
2
XCMS / time series experiment
I have acquired data of pathogen inoculated susceptible and resistant cell-lines along with their controls (mock inoculated) at each time point. I have time points of 2 hr, 4hr, 8 hrs, 16 hr. I request you to let me know how to group the data.
I have tried following approach, please let me know whether I am correct or not?
First I have made a folder control and infected, within these folder I have made a subfolder of 2 hrs, 4hr, 8hr and 12 hr.
3
XCMS Online / Q-exactive
I have metabolite data aquired on newly launch q-exactive orbitrap from Thermo. Can I use this data for analysis on XC MS online?