Since both TD and %LC are represented to these models as a number, these models were treated as regression problems. We decided to use the coefficient of determination (R 2 ) to compare the performance of the models and select the best model from the data as this measure is easily understood by analytical chemists. More conventional measures of error such as Mean Absolute Error (MAE) and Root Mean Squared Error (RMSE) were calculated as well. The equations for these measures of error are given below where 𝑦 # is the experimentally measured observation and 𝑦 is the value predicted by a model. Additionally, 𝑦 $ is the mean of the experimentally measured values.