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 wrote:
>
> Hi,
>
> I'm trying to match peaks betwee
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
constrai
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