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Other / Convert qgd files from shimadzu into mzXML
does anyone knows how to convert a qgd file from a shimadzu GC/MS into a mzXML file.
Thanks for help!
Best,
Marco
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Topics - Marco
does anyone knows how to convert a qgd file from a shimadzu GC/MS into a mzXML file.
Thanks for help!
Best,
Marco
2
XCMS / Processing direct infusion data using MassSpecWavelet
I have a question concerning the dataprocessing with the package "MassSpecWavelet". I use direct infusion at a OrbitrapXL and I am interested in low molecular masses (<2000 Da). To compare different sets I need a good tool and hence I know xcms from LC/MS analysis I tried xcms using the package "MassSpecWavelet". But it seems that it does not work. I have to say that I am not an expert in R. Problem what I got was that not all peaks I see in the xcalibur file are listed. Probably it is because of the noise which is calculated in the package. But I would like to list all mass peaks also the low ones to do not overlook minor compounds. Is it possible in general with these package? If there is anyone who can help me would be great.
Best wishes
Marco