GCxGC/VUV advanced data processing

Comprehensive two-dimensional Gas Chromatography with Vacuum Ultraviolet detection (GC×GC/VUV) results in sizable data for which noise and baseline drift ought to be corrected. As GC×GC/VUV signal is acquired from multiple channels, these processing steps have to be applied from all channels while being robust and rather fast with respect to significant size of the GC×GC/VUV data. We supply a series of modules:
o load GC×GC/VUV data from ‘txt’ file
o quick exploring through the orthogonal wavelength dimension
o phase shift
o extraction of 1D profiles
o adaptive noise reduction on the spectral and time dimension
o baseline correction
o spectrum subtraction
o extraction of a spectrum from a point
o extraction of chromatograms at different spectral ranges
o save GC×GC/VUV data in the form of ‘txt’ file

Modules for data pre-processing, specifically developed for GC×GC/VUV data, are described in
A. Lelevic et al., Advanced data pre-processing for Comprehensive two-dimensional Gas Chromatography with Vacuum Ultraviolet Spectroscopy detection, 2021, J. Sep. Sci.

Usage and tutorial with videos are available in
A. Lelevic et al., plug im! software for comprehensive two-dimensional gas chromatography with vacuum ultraviolet detection – A tutorial, 2022, Chemometrics and Intelligent Laboratory Systems.

If you use these modules, please cite these papers.

We provide also a specific data to test this package (see link below). It consists of a model mixture composed of various hydrocarbons, with modulation period of 4.5 s and acquisition frequency of 33.34Hz. Use 7zip ( https://www.7-zip.org/ ) to unzip the file, load the .txt file directly into plug im!, and execute provided "Read 3D VUV" plugin.

Updates:
20221108: Added new reference.
20220128: corrected input parameter for the Contract plugin, and added new modules to the package.
20210813: corrected a rounding problem in the reading module.