Figure 4. The scheme for the procedure for obtaining the one-way cycle flux.

Diagrammatic procedures were indicated by the ovals. Numerical values were indicated by blue boxes. The state and sub-state probabilities were obtained from matrix inversion. The results were indicated by the rounded boxes. The one-way cycle flux and the stoichiometric number gave macroscopic observables, such as the net flux, the net ion flux and the water-ion coupling ratio. Generally, the net flux cannot be calculated from the transition flux, and Monte Carlo simulation provides approximate solutions.