Abstract

The Mass Spectrometry data are saved as mzML files, an XML (eXtensible Markup Language) based common file format. The data can be viewed in MZmine2 (http://mzmine.github.io). MZmine2 is an open-source software for mass-spectrometry data processing, with the main focus on LC-MS data. The original MS data were produced by Xcalibur™ software version 2.1 (Thermo Scientific) and saved in RAW files. The RAW files were later converted to mzML files.

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