XCMS for GC-MS
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Joe • 0
@joe-16775
Last seen 2.7 years ago

Hello,

I'm new to processing GC-MS data with R and after looking into a number of packages the general consensus seems to be that xcms is the best out there for metabolomic data. Looking through the xcms vignettes there doesn't seem to be an example for its use with GC-MS data. I was wondering whether anyone had any examples that I could follow?

Thanks.

xcms GC-MS • 486 views
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I don't have any GC-MS data examples, but I guess the processing is pretty much the same as for LC-MS, so you can use xcms for the processing. Have a look at the xcms vignettes for examples on the preprocessing. Eventually you could also have a look at https://github.com/jotsetung/metabolomics2018 that provides some details on how to derive the "best" parameters for the various preprocessing steps from the data.

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