1,5c1,24
< 

< X.long = class data for lactate dehyrogenase
< 
< summary of simplex fitting results:
< iteration number 447
---
> iter=30, mean=9.1488555601e-03 test=6.5681142930e-02 rmse=1.827451e-02
> simpdev: reconstruct simplex from old centroid
> iter=60, mean=2.5721593723e-03 test=6.9351297804e-02 rmse=1.108827e-02
> iter=90, mean=1.2366801848e-03 test=2.3872002119e-01 rmse=7.714608e-03
> simpdev: cannot evaluate function at pmin
> simpdev: reconstruct simplex from old centroid
> iter=120, mean=1.3702346375e-04 test=1.0709665406e-01 rmse=2.501303e-03
> iter=150, mean=1.0234398576e-04 test=5.2203578205e-03 rmse=2.247090e-03
> iter=180, mean=9.9300086594e-05 test=8.5777708326e-03 rmse=2.224663e-03
> simpdev: cannot evaluate function at pmin
> simpdev: reconstruct simplex from old centroid
> iter=210, mean=9.4256275570e-05 test=3.8547538931e-03 rmse=2.167419e-03
> iter=240, mean=9.0991246177e-05 test=4.6233247450e-03 rmse=2.131312e-03
> iter=270, mean=6.5040349218e-05 test=1.5789462814e-02 rmse=1.777126e-03
> iter=300, mean=6.2301562720e-05 test=1.1741144258e-03 rmse=1.763179e-03
> simpdev: reconstruct simplex from pmin
> iter=330, mean=5.3644370949e-05 test=4.8145860398e-03 rmse=1.633456e-03
> simpdev: reconstruct simplex from pmin
> iter=360, mean=5.2357511174e-05 test=1.5959127605e-04 rmse=1.617761e-03
> simpdev: reconstruct simplex from pmin
> iter=390, mean=5.2238047445e-05 test=1.9208691602e-05 rmse=1.616100e-03
> simpdev: reconstruct simplex from pmin
> iter=420, mean=5.2235429816e-05 test=4.6026547904e-07 rmse=1.616097e-03
> simpdev: reconstruct simplex from pmin
6a26
> iteration 447
29,31c49
< 
< centroid:
< function value = 5.22353806582272e-05
---
> centroid:    function value = 5.22353806582272e-05
35,45c53
< root mean square weighted error of best fit to data = 1.61609684804520e-03
< 
< 

< X.long = class data for lactate dehyrogenase
< 
< summary of results of quadratic fit
< iteration number 447
< 
< mean=5.22353813497473e-05 rms=5.16787864926236e-13 test=9.89344485619871e-09
< 
< mse    = 2.61176902226162e-06   rms weighted error = 1.61609684804520e-03
---
> mse    = 2.61176903291136e-06   rms weighted error = 1.61609685134009e-03
57a66,79
> 
> scaled variance-covariance matrix:
>    4.4015052827e-04   9.3994430306e-05   1.0350546115e-03  -6.6928543454e-06
>      1.1208844917e-05  -3.1223636091e-05
>    9.3994430306e-05   2.0754721906e-05   2.1995602581e-04  -1.6023245736e-06
>      2.2637229035e-06  -6.3303968538e-06
>    1.0350546115e-03   2.1995602581e-04   2.6939138500e-03  -2.0814787837e-05
>      2.6564450460e-05  -8.1963992719e-05
>   -6.6928543454e-06  -1.6023245736e-06  -2.0814787837e-05   2.7989651912e-07
>     -1.3747575265e-07   5.4048796685e-07
>    1.1208844917e-05   2.2637229035e-06   2.6564450460e-05  -1.3747575265e-07
>      1.1493974847e-06  -2.7443508037e-06
>   -3.1223636091e-05  -6.3303968538e-06  -8.1963992719e-05   5.4048796685e-07
>     -2.7443508037e-06   7.0655822987e-06
60a83
> 
91a115
>