Local concentrations

The concentration keyword (abbreviated as conc in other parts of the script file can denote concentrations that pertain to the individual datasets. For example, let us assume that the six progress curves in the script file listed above were collected each at a different concentration of the enzyme. In this case the script file would contain the following text.

[mechanism]
   E + S <==> ES  :  k  ks
   ES --> E + P   :  kr
[constants]
   k = 1, ks = 20, kr = 5
[responses] 
   P = 0.0015
[progress]
   file  f1 | conc S =   500, E = 0.001
   file  f2 | conc S =  1000, E = 0.002
   file  f3 | conc S =  2000, E = 0.003
   file  f4 | conc S =  4000, E = 0.004
   file  f5 | conc S =  8000, E = 0.005
   file  f6 | conc S = 16000, E = 0.006
[end]

If a concentration value is listed in the [concentration] section (global value) and simultaneously in the [progress], [velocity] or [equilibria] section (local value), the local value takes precedence over the global value. The distinction between concentrations considered as global or local parameters becomes very important when concentrations are treated as adjustable parameters.

Next: Concentrations as optimized parameters Up: Concentrations Previous: Global and local concentrations Index

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Petr Kuzmic | Jul 12 2005