Introduction

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.

Download

Please download the software from release (or just click the following link from GitHub)

• All in one contains
  • xcmsGUI-Zhulab
  • R-portable
  • PreteoWizard

Config

• To use All in one software, one can just run the xcmsGUI.exe after unzip xcmsGUI-Zhulab-all.zip

Peak detection

Note

1. 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
2. For MS1 only data, users should uncheck Export MSMS in MGF Format
3. If only MSMS spectra needed, users should just select - in Analysis and Run the program.

Saving peak detection parameters for next time

Load previous saved parameters

License

This work is licensed under the Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)