I've got triple-labeled data, heavy-medium-light K. We've discussed before 
the possibility of supporting this type of data fully, and I know that's 
not possible yet.

However, I would like to compare medium with heavy (specifically, I'd like 
to assess M/(M+H)). This is only a comparison of two quantities, but I'm 
having a hard time figuring out how I might do it with XPress. 

I tried running XPress twice (H/L and M/L) and using the values for H from 
one run and M from the other. That did not behave well at all, and when I 
sanity checked by comparing H/L ratios derived from one XPress run with H/L 
ratios derived from the H from an H/L run and the L from a M/L run, the low 
correlation (~0.3) made me realize that I should not expect this to work 
well.

I considered re-running Comet, pretending that there's no light label, and 
running XPress on the results. This would certainly "work", but I would 
lose quantitation from all PSMs in which only the light was identified; 
that's likely quite a lot of peptides. 

My only other idea is to mutilate the PepXML from my current (L-M-H) Comet 
searches, dummying them up so that it looks like I ran an M-H only search, 
and creating dummy M or H IDs for everything that's currently an L ID. 
That's a really ugly solution, though, and I'm worried it'll fail for some 
reason I haven't thought of.

Can anybody think of another way to do this?

Thanks,
Damon

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