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Topics - carlos

1
Compound identification / RT correlations
does anybody know if there are any good programs or empiric correlation formulae for predicting retention times of compounds in given solvent gradients?...I know its complicated, as it'll need a lot of input information, but there may be someone who already did it...if not, does anybody know any good database where I can find chromatograms of standards, ran in known conditions?
2
XCMS / Problems with memory
Hello,

I'm a new XCMS user, and I have problems loading my .cdf files. Around 10 minutes after I run the xcmsSet() function in R, the following message appears:

Error: cannot allocate vector of size 959.1 Mb
In addition: Warning messages:
In netCDFRawData(cdf) :
Reached total allocation of 3758Mb: see help(memory.size)

I tried loading files separately and then using the c() function, but this happens even when I load a single file. According to the R documentation, since I'm running a 64-b R in 64-b Windows the max. I can handle is 8Tb, but I have the understanding that such function relies on my RAM (which is ca. 4Gb, so makes sense), so it maybe a hardware impediment. Is it so? Because I need to handle a lot of pretty large data files (I'm doing untargeted metabolomics), so is there an indirect way in which I can load a big file ?  do you have any recommendation for managing such ammounts of data?

Thanks