X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2FCSA%2Fglobal%2Funrestrained%2Freminimize%2Ffit.log;fp=examples%2Funres%2FCSA%2FGAB%2FCSA%2Fglobal%2Funrestrained%2Freminimize%2Ffit.log;h=0000000000000000000000000000000000000000;hp=361679a2da998702109a37b203b8984bd657733b;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/fit.log b/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/fit.log deleted file mode 100644 index 361679a..0000000 --- a/examples/unres/CSA/GAB/CSA/global/unrestrained/reminimize/fit.log +++ /dev/null @@ -1,45 +0,0 @@ - - -******************************************************************************* -Wed Jun 13 10:27:41 2012 - - -FIT: data read from "1l2y_remini_GB000.stat" u 27:31 - #datapoints = 200 - residuals are weighted equally (unit weight) - -function used for fitting: f(x) -fitted parameters initialized with current variable values - - - -Iteration 0 -WSSR : 4599.97 delta(WSSR)/WSSR : 0 -delta(WSSR) : 0 limit for stopping : 1e-05 -lambda : 2.99116 - -initial set of free parameter values - -a = 1 -b = 1 - -After 4 iterations the fit converged. -final sum of squares of residuals : 0.148259 -rel. change during last iteration : -3.56824e-13 - -degrees of freedom (ndf) : 198 -rms of residuals (stdfit) = sqrt(WSSR/ndf) : 0.0273639 -variance of residuals (reduced chisquare) = WSSR/ndf : 0.00074878 - -Final set of parameters Asymptotic Standard Error -======================= ========================== - -a = -0.00629305 +/- 0.001687 (26.8%) -b = 0.317023 +/- 0.006933 (2.187%) - - -correlation matrix of the fit parameters: - - a b -a 1.000 -b -0.960 1.000