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Topics - florian.geier

1
XCMS / Not able to read a write.cdf() written NetCDF file
Dear XCMS team,

first - thanks a lot for maintaining and further pushing this great piece of software!

However, I have ran into a problem regarding the compatibility of written CDF files, using the function write.cdf() .

If I read a file into an xcmsRaw object and output it via write.cdf() like
Code: [Select]
write.cdf(xcmsRaw("AnyFile.CDF"),file="AnyFile_2.CDF")

I am able to read it back into xcms, plot it, peak pick it, etc. But I am not able to read it into any other programme such as ADMIS ("Cannot read header record in GC/MS data file"), ChemStation (... is not a compatible AIA file).

Using NetCDF as file format is vital as I need to read files into AMDIS (which doesn't support any XML formats). - Do you have any suggestions?

Many thanks,


Florian