gp-gam-optimisation-dataset: Example input and output data for Gaussian Process and GAM workflow (H₂SO₄, January 2017)

This dataset provides the input and output files used for the demonstration and reproducibility tests of the gp-gam-optimisation-pipeline (Ghosh & Regayre, 2025). The example covers Gaussian Process (GP) emulation and Generalized Additive Model (GAM) fitting for H₂SO₄ (January 2017) over four grid points.It includes the raw input files, emulated mean outputs, and GAM variance files. The dataset allows users to validate the pipeline functionality without requiring access to HPC or the full PPE dataset. Software reference: https://doi.org/10.5281/zenodo.17543623