Metabolomics Society Forum

Software => R => XCMS => Topic started by: kelly.schiabor on November 29, 2012, 01:52:38 PM

Title: GC-MS settings for XCMS
Post by: kelly.schiabor on November 29, 2012, 01:52:38 PM
Hello,

I am trying to use XCMS with MetaXCMS to analyze GC-MS spectra ( from a scanning MS). I was wondering if there are any references/ advise out there for settings to use for GC-MS data for alignment, peak calling, etc as I know they will differ from LCMS.

Thanks a lot

Kelly
Title: Re: GC-MS settings for XCMS
Post by: Ralf on December 04, 2012, 01:25:09 PM
There are two predefined GC/MS parameter sets on XCMS Online. (http://https://xcmsonline.scripps.edu/)
Title: Re: GC-MS settings for XCMS
Post by: rahulkapoore on December 06, 2012, 04:13:50 PM
Hi kelly,

Did you managed to workout what parameters you are selecting for processing GC-MS data??

I do have the same problem. Could you please help!!!!!