For more reliable statistics and to obtain better-resolved MW distributions of the final pool of PEG molecules, we expanded the simulation by increasing the number of initial PEG molecules to 5000 (but maintaining the MW distribution of 6380 ± 400 Da) and by combining a total of 50 simulation outcomes per 𝑆𝚤𝐶 """"" scenario. We note that the chosen simulation parameters represent a balance between computational feasibility and statistical reliability. For the simulations terminated at 𝑆𝚤𝐶 """"" = 1, a large fraction of the initial PEG molecules did not react, as evidenced from the high abundance and the bell-shaped distribution around the starting average MW of 6380 Da (Figure ). The simulated final MW distribution of PEG molecules is now expressed in weight percent (wt%) to reflect their actual mass distribution.