GcDUO: an open-source software for GC × GC-MS data analysis.

ABSTRACT: Comprehensive 2D gas chromatography coupled with mass spectrometry (GC × GC-MS) is a powerful analytical technique. However, the complexity and volume of data generated pose significant challenges for data processing and interpretation, limiting a broader adoption. Chemometric approaches, particularly multiway models like Parallel Factor Analysis (PARAFAC), have proven effective in addressing these challenges by enabling the extraction of meaningful chemical information from multi-dimensional datasets. However, traditional PARAFAC is constrained by its assumption of data tri-linearity, which may not be valid in all cases, leading to potential inaccuracies. To overcome these limitations, we present GcDUO, an open-source software implemented in R, designed specifically for the processing and

SUBMITTER: Llambrich M 

PROVIDER: S-EPMC11879434 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature