posted on 2024-02-22, 20:05authored byWenzhe Zang, Xiaheng Huang, Ruchi Sharma, Xudong Fan
A 1D-guided differential rescaling algorithm
for a contour
plot is developed based on our recently proposed comprehensive two-dimensional
gas chromatography (GC × GC) system with a first-dimensional
(1D) detector added. Chromatograms obtained from 1D and second-dimensional (2D) detectors are both incorporated
during the data processing. As compared to the conventional contour
plot methods using only 2D data, our algorithm can significantly
improve precision and consistency of GC × GC results in terms
of retention times, peak widths, and peak areas or volumes, regardless
of modulation time selection, modulation phase shift fluctuations,
and modulation duty cycle. The peak identification, quantification,
and capacity can therefore be enhanced. Furthermore, the 1D-guided differential rescaling method is shown to better handle
the coelution and missing peak issues often encountered in the conventional
methods. Finally, the new method exhibits high versatility in 1D and 2D detector selection, which greatly broadens
GC × GC utility. Our method can easily be adapted to other two-dimensional
chromatography systems that have direct access to 1D chromatograms.