followed by the calculation of [A] and [B] with then equation 23 and 24. The calculations are repeated until the change in the equilibrium concentrations reaches a threshold. Alternatively to this algorithm, methods to solve any equilibria system based on a Gauss-Newton optimisation have been published. A Levenberg-Marquardt optimisation has been tested in SupraFit, but was disabled. § § During Monte Carlo simulations the Levenberg-Marquardt optimisation was not as efficient as the approach described above. However, a detailed benchmark was not prepared.