Fitting the data of reaction kinetics: FACSIMILE: how do I...



Hello,
 does anybody know how to access the RSQS (Residual Sum of Squares) after
 the data fitting run was finished?
 >>>...
  !!!!! COMMAND INTERPRETER RE-ENTERED
   COMPILE INSTANT;
   LOCN   INSTRUCTION
    142:WRITE 1=6, "RSQS = ", (E10,4), RSQS %;
  !!!!! ILLEGAL OR UNRECOGNISED NAME
 WRITE 1=6, "RSQS = ", (E10,4), RSQS %;
  !!!!! ERROR DETECTED AT WORD:
  RSQS                      ENDING IN
  POSITION 35 OF ABOVE LINE
  !!!!! PROCEEDING BUT EXECUTION DELETED
   !!!!! ERROR STOP INSTRUCTION COMPILED
  AT LOCATION    158
    159:**;
 ...<<<
 It seems that FACSIMILE compiler doesn't know RSQS, although PSTREAM puts
 into  the output the calculated values of the RSQS during the fitting run.
 Then, the next thing I tried, was simply to sum the squares of the
 RESIDARRAY elements:
 (this is just a tail of the code)
 >>>...
 SETVARY ID IC ;
 NBEGIN 200;
 BEGIN;
 COMPILE INSTANT;
 RSSQR = 0.0;
 DO 1 FOR #1 = 0 (1) 999;
 RSSQR = RSSQR + RESIDARRAY<0,#1> * RESIDARRAY<0,#1>;
 LABEL 1;
 WRITE 1=6, "RSSQR = ", (E10,4), RSSQR %;
 **;
 STOP;
 <<<
 But the value of RSSQR I've got here, is about 2x highier than the RSQS
 value, which is putted by PSTREAM into the output:
 >>>...
  AFTER   0 ITERATIONS AND   1 RUNS, INDIVIDUAL CURVE STATISTICS ARE
       RSQS        CORI     AUCO     AUCR
    3.6781E+01  -0.3466   0.0431   0.0316
  TOTAL RESIDUAL SUM OF SQUARES IS      3.67813E+01
  MEAN ABSOLUTE CORRELATION INDEX IS   0.34656
  VARY(  1):ID                        =  2.1650E+05
  VARY(  2):IC                        =  1.8596E+05
          1 SIMULATION RUNS COMPLETED
          2 SIMULATION RUNS COMPLETED
          3 SIMULATION RUNS COMPLETED
  PARAMETER NUMBER, TYPE,     NAME,                     VALUE
                1   PRI.     ID                         2.1650E+05
                2   PRI.     IC                         1.8596E+05
  RESIDUAL SUM OF SQUARES =  3.6781E+01 FOR  998 DEGREES OF FREEDOM
  SINGULAR VALUES OF DEPENDENCE MATRIX AND STRUCTURE OF COMPONENTS
                    VALUES   2481.822  455.336
 ID                          0.11017 -0.99391
 IC                          0.99391  0.11017
  FITTED VALUES, ACCURACIES AND CONFIDENCE LIMITS
  NO.   NAME                       VALUE       SDLN   5 PERCENT  95 PERCENT
    1 ID                         2.1650E+05  0.0004  2.1635E+05  2.1665E+05
    2 IC                         1.8596E+05  0.0001  1.8593E+05  1.8599E+05
   CORRELATION MATRIX COMPONENTS
  COLUMN     1      2
  ROW    1  1.000 -0.500
  ROW    2 -0.500  1.000
  !!!!! COMMAND INTERPRETER RE-ENTERED
  COMPILE INSTANT;
   LOCN   INSTRUCTION
    142:RSSQR = 0.0;
    148:DO 1 FOR #1 = 0 (1) 999;
    156:RSSQR = RSSQR + RESIDARRAY<0,#1> * RESIDARRAY<0,#1>;
    169:LABEL 1;
    196:WRITE 1=6, "RSSQR = ", (E10,4), RSSQR %;
    217:**;
  <...>
 RSSQR =  6.172E+01
  STOP;
  !!!!! STOP
  !!!!! FORMATTED WRITE NUMBER  1 CLEARED
 ...<<<
 So, why do these values differ?
 Or maybe I'm doing something wrong here?
 Many thanks in advance,
 Darius
 --
 Darius Vainius
 Department of Molecular Biology
 Max Planck Institute for Biophysical Chemistry
 e-mail:  dvainius "at@at" mpc186.mpibpc.gwdg.de