Just to be sure you're aware, there are packages for chromatograpy and mass
spec data in Bioconductor. Like xcms. Don't think any will directly address
your problem, but they might be useful.
Michael
On Tue, Feb 17, 2009 at 5:44 AM, bartjoosen bartjoo...@hotmail.com wrote:
Hi,
I'm trying to
Hi,
I'm trying to match peaks between chromatographic runs.
I'm able to match peaks when they are chromatographed with the same method,
but not when there are different methods are used and spectra comes in to
play.
While searching I found the ALS package which should be usefull for my
Hoi Bart,
I think you're right that ALS should be applicable to this problem.
Unfortunately in writing I see that there is a bug when the spectra are
NOT constrained to nonnegative values (the package has been used to my
knowledge only in fitting multiway mass spectra thus far, where this
3 matches
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