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Topic: Multiple Classes in XCMS (Read 3296 times) previous topic - next topic

Multiple Classes in XCMS

Good day everyone and Happy Holidays,

I have a question regarding XCMS and its treatment of multiple classes.
For example, I have three groups of Data: control, 50ppm Ni treated samples, 150ppm Ni treated samples.

Is it possible to fit all of the three data in one xcms run in R, or should I only do them two at a time? I am planning to do PCA directly after the fillPeaks step.

Case (I): control, 50ppm and 150ppm -> xcms -> PCA

Case (II):
control and 50ppm -> xcms
50ppm and 150ppm -> xcms
control and 150ppm -> xcms
then everything PCA

Thank you very much

sincerely,
Greg