Because apparently using xcms for GCMS data can be tricky, due to the EI fragmentation. If you found other parameters or if you have some tips on GCMS data processing, I would really appreciate some help.
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?
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?
