For users' convenience, we developed an all-in-one GUI tool, namely, xcmsGUI-Zhulab
, to integrate data conversion (using MSConvert
in ProteoWizard
) and data pre-processing (using XCMS
) in one analysis. Users only need input raw MS data files (.d
, .raw
, or .wiff
) from vendor instruments to xcmsGUI
. Then, xcmsGUI
enables to perform data conversion and peak detection altogether in one step. Finally, a peak table and MS/MS spectra files (MGF
format) are generated as the input files for MetDNA
. Sample information file is generated automatically for MetDNA
.
Please download the software from release (or just click the following link from GitHub)
- All in one contains
xcmsGUI-Zhulab
R-portable
PreteoWizard
- To use All in one software, one can just run the xcmsGUI.exe after unzip
xcmsGUI-Zhulab-all.zip
Note
- We support polarity switch mode of ThermoFisher Obitrap instruments (e.g., Exploris 480). Users should just check
Ploarity swith (For Obitrap)
and set data format to.raw
- For MS1 only data, users should uncheck
Export MSMS in MGF Format
- If only MSMS spectra needed, users should just select
-
inAnalysis
andRun
the program.
This work is licensed under the Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)