Simulated-GC-MS

Generates simulated GC-MS datasets over short retention time intervals with varying rank (3, 4, 5 components) and noise levels (0.001, 0.01, 0.1). Pure components use mass spectra from real GC-MS data, Gaussian elution profiles with random retention time shifts up to 7 points, and random uniform concentrations. Produces 900 total datasets for benchmarking PARAFAC2 and other decomposition methods.