DynaFit Scripting Manual

  Index

Local vs. global analysis

DynaFit can analyze the time-course of chemical reactions using one of two statistical approaches:

1. Global analysis [3] involves fitting all progress curves listed in the script file simultaneously to the same set of rate and equilibrium constants.
2. Local analysis involves fitting the progress curves separately, one by one, to more-or-less different sets of rate and equilibrium constants.

Global analysis is the default. Local analysis is accomplished by including the keyword local, standing on a separate line, in the [progress] section of the script file.

ExampleIn this example, the data files F1, F2, and F3 are analyzed separately. The outcome are more-or-less different sets of rate constants $k_1$ and $k_2$, characteristic for each set of experimental data.

[mechanism]
   A + B ---> C  :  k1
   A + C ---> D  :  k2
[constants]
   k1 = 1.0 ?, k2 = 2.0 ?
[responses]
   D = 1000
[progress]
   local ; <-- fit progress curves separately
   directory ../../data/test
   extension txt
   files f1, f2, f3
   vary concentration I = 1.0, 2.0, 3.0

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Petr Kuzmic | Jul 12 2005