For entries 1-8 of Table , Auto-VTNA for both sequential and total VTNA yielded order values in close agreement with the reported values. The 15% uncertainty intervals for the optimal order values were also moderate for these datasets (see ESI, Fig. ). For entries 9-14 of Table , the order values obtained by automatic total VTNA deviate more significantly from the reported values. However, the calculated order values demonstrate closer overlay than the reported values, as evidenced by their superior overlay scores. This supports the claim that Auto-VTNA yields the order values that maximise concentration profile overlay without human bias. This allows calculated order values and uncertainty intervals to be reported alongside rounded order values, even if the latter is believed to be the "true" order (see ESI, Section S6). Entry 15 of Table produced wide uncertainty intervals both in sequential and total VTNA, suggesting that more experiments may be needed to confirm the true order, particularly in the pyrrolidine substrate (see ESI, Fig. ). Entry 16 of Table yielded order values in close agreement with those reported, with the exception of the order in the alkyne which was found to be 1.05 rather than 2.05 (see ESI, Fig. ).