0README

Wed Jul 27 22:33:55 MST 2005


|-- Ldh				directory - sources, executable, tests:
    |					    function for nonlinear least-sq fit
    |					    of lactate dehydrogenase enzyme
    |					    rate data
    |-- 0NOTE
    |-- 0README
    |
    |-- Makefile
    |-- ldhfit				executable - function + simplex library
    |-- ldhfit.c			C-code for function
    |
    |-- ldhfit.dat			ldh rate data, independent variables
    |						2 reactant & 1 product concn,
    |						parameter and control values 
    |						= input for ldhfit
    |-- ldhfit.out			output from ldhfit, under macosx
    |-- ldhfit1991.test1991		above differently named
    |
    `-- tests				directory - tests of ldhfit program
        |-- ldhfit.test1-4d30			1991 output, under sgi 4d30
        |-- ldhfit.test1-mod-4d30		above, edited so can diff with 
        |					    output of macosx compiledd 
        |					    program (rearranged order
        |					    of output - ldhfit.c code 
        |					    changed btwn 1991 & now)
        |-- ldhfit.test2-4d30			etc. etc.
        |-- ldhfit.test2-mod-4d30
        |-- ldhfit.testx-4d30
        |-- ldhfit.testx-mod-4d30		as above, except fit without
        |					    quadratic approximation
        |					    (simplex only used in fit)
        |-- test.data
        |-- test.data-bounds
 	|
        |-- test.out
        |-- test.out-macosx			current results, under macosx
        `-- test.outx-macosx			current results, no quad approx
 

Fit model with 6 variable parameters to ca 30 data points, 3 independent
variables.

The fit is robust: converges over ca order magnitude range start
param values; similar convergence param values for different data
sets.


John Rupley
 rupley@u.arizona.edu -or- jar@rupley.com
 30 Calle Belleza, Tucson AZ 85716 - (520) 325-4533; fax - (520) 325-4991
 Dept. Biochemistry & Molecular Biophysics, Univ. Arizona, Tucson AZ 85721
