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- (ENTER ONE LINE TITLE) (THIS DEMONSTRATION TEMPLATE FILE IS SETUP FOR LDHDATA)
-
- nvert= 7 nparm= 7
-
- ndata(ENTER-VALUE-HERE)= __ ndatval= 6
-
- iter= 0 maxquad_skip= 4 exit_test= 1.E-8
-
- prt_cycle= 30 quad_test= 30
-
- starting-simplex[nvert][nparm=V,KmA,KmB,KmAB,KmPQ,1/K(I,B),small]=
- 1 .001 .01 .001 .001 1E-6 1E-10
- 10 .001 .01 .001 .001 1E-6 1E-10
- 1 .1 .01 .001 .001 1E-6 1E-10
- 1 .001 1 .001 .001 1E-6 1E-10
- 1 .001 .01 .1 .001 1E-6 1E-10
- 1 .001 .01 .001 .1 1E-6 1E-10
- 1 .001 .01 .001 .001 1E-2 1E-10
-
- data[ndata][y,yc,w,a,b,p](ENTER-THE-FIRST-COLUMN-OF-Y-VALUES)=
- _.___ 0 1 .011 .15 0
- _.___ 0 1 .015 .15 0
- _.___ 0 1 .022 .15 0
- _.___ 0 1 .035 .15 0
-
- _.___ 0 1 .011 .22 0
- _.___ 0 1 .015 .22 0
- _.___ 0 1 .022 .22 0
- _.___ 0 1 .035 .22 0
-
- _.___ 0 1 .011 .35 0
- _.___ 0 1 .015 .35 0
- _.___ 0 1 .022 .35 0
- _.___ 0 1 .035 .35 0
-
- _.___ 0 1 .011 .70 0
- _.___ 0 1 .015 .70 0
- _.___ 0 1 .022 .70 0
- _.___ 0 1 .035 .70 0
-
- _.___ 0 1 .011 .15 0
- _.___ 0 1 .035 .15 0
- _.___ 0 1 .011 .70 0
- _.___ 0 1 .035 .70 0
-
- _.___ 0 1 .035 .15 150
- _.___ 0 1 .035 .22 150
- _.___ 0 1 .035 .35 150
- _.___ 0 1 .035 .70 150
-
- _.___ 0 1 .035 .15 150
- _.___ 0 1 .035 .70 150
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- Comments:
-
- the first line, a ONE-LINE title, can have no control characters
- or tabs;
-
- the ONE-WORD (there can be NO white space within them) mnemonic
- identifiers ("data[ndata][y,yc,w,a,b,p]=", "nvert=", etc.)
- must ALL be present;
-
- the identifier must be separated by white space from the value(s)
- following for it;
-
- the order of presentation of the identifier-value sets is fixed,
- but the number of spaces or tabs or newlines, etc. between values
- is not important (ie, there are no format fields);
-
- the number of values read in the set of values after "simplex.."
- is <nvert> x <nparm>;
-
- the number of values read in the set of values after "data.."
- is <ndata> x <ndatval>; generally <ndatval> >= 4, because the
- aggregate <data> must store for each point values for
- y(observed), y(calculated), the statistical weight, and one or
- more independent variables;
-
- descriptive comments (like these) can be placed at the end of the
- data file.
-
-
- NOTE:
-
- set the starting simplex large, to include all reasonable
- values of the principal parameters;
-
- set exit_test tight, to minimize problems with the quadratic fit;
-
- set prt_cycle and quad_test at 30, so that every 30 iterations
- the intermediate results are stored on disk and selectively a
- quadratic fitting is carried out, to speed convergence;
-
- by setting maxquad_skip nonzero, if a quadratic fit fails,
- then the next 1 to maxquad_skip quadratic fit attempts are passed over.
- .pa
-