such that 0 ≤ 𝑆 𝑠𝑝𝑒𝑐 ≤ 1000, with a score closer to 1000 indicating greater similarity. To expedite spectral comparisons, the convolved computed spectra were binned once at 3 cm -1 intervals (minimum experimental step size) and saved into the library. Spectral comparisons are then performed by evaluating the experimental intensities at these wavenumber points through linear interpolation, which ensures a common x-axis.