Metabolomics Society Forum

Software => R => XCMS => Topic started by: LauraShireman on February 13, 2014, 10:16:35 PM

Title: Saving an xcmsSet object
Post by: LauraShireman on February 13, 2014, 10:16:35 PM
I need to peak pick and align about 250 samples, and because I forgot to turn off Microsoft's automatic updates, the computer I had set up to do this restarted right in the middle of the xcmsSet step, and I lost about a day of computing time. Lesson learned: I turned OFF automatic updates. However, it made me wonder whether there was some way to save an xcmsSet object that's only partway completed. Is that possible? Could I, for example, run xcmsSet on a subset of my samples, save what I've got so far, then run xcmsSet on the next chunk of samples, save again, etc. and at the end, put everything together into one xcmsSet object?

Many thanks in advance for any help! You guys are great!

Laura
Title: Re: Saving an xcmsSet object
Post by: sneumann on February 14, 2014, 12:59:36 AM
Hi,

yes, you can

    xsall <- c(xs1, xs2)

check  "? c.xcmsSet"

Yours,
Steffen

    Combines the samples and peaks from multiple 'xcmsSet' objects
    into a single object. Group and retention time correction data are
    discarded. The 'profinfo' list is set to be equal to the first
    object.
Title: Re: Saving an xcmsSet object
Post by: LauraShireman on February 14, 2014, 01:45:49 PM
Well, that sounds almost too easy! Thank you very much, Steffen! I'll give it a try!