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Messages - florian.geier

1
XCMS / Re: Not able to read a write.cdf() written NetCDF file
Dear Carsten, Dear Steffen,

thanks for helping!

@ Carsten: I already feared that. I had a look into the write.cdf() code and it writes much less variables than I would see via
Code: [Select]
cdf <- open.ncdf("ko16-xcms.cdf");

@ Steffen: I updated to 1.33.9 and even tried the SVN checkout. However, AMDIS will still not load created files. As I wrote above, I inspected the code and the only variables written into the new cdf are  "scan_acquisition_time, total_intensity, scan_index, total_intensity, mass_values, intensity_values". Have I missed something or is it possible that I still not have the "latest" release. 

Thanks so much for helping with this!

All the best from London,


Florian
2
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