No significant difference was observed between Benchmark 1, which was conducted without baseline noise, and Benchmark 2, which included artificial baseline noise (Table ). When the level of random error in the chemical shifts is consistent with NMR spectra generated from ChemDraw ® , the MAE in concentration of each component in the spectrum was 7% and 6% for spectra corresponding to 5 or 10 components, respectively. Using a level of random chemical shift error that is consistent with the errors in NMR spectra generated from DFT resulted in an MAE of 5% for both 5 and 10 components, and using a level of error consistent with chemical shifts obtained from known compounds resulted in an MAE of 2%