[GENERAL INFORMATION]
Function Name=Dissociation
Brief Description=Dissociation
Function Source=N/A
Function Type=User-Defined
Function Form=Y-Script
Number Of Parameters=3
Number Of Independent Variables=3
Number Of Dependent Variables=1
Analytical Derivatives for User-Defined=Off


[FITTING PARAMETERS]
Naming Method=User-Defined
Names=dH,K,OFFSET
Meanings=?
Initial Values=--(V)
Lower Bounds=--(X, Off),0(X, On),--(X, Off)
Upper Bounds=--(X, Off),--(X, Off),--(X, Off)
Number Of Significant Digits=4,4,4


[FORMULA]
//NDH=(dH*((((-sqrt(K)+sqrt(K+(8*syrng_C_%Q)))^2)/16)*(.001*injv))-(dH*((((-sqrt(K)+sqrt(K+(8*xmt)))^2)/16)-((((-sqrt(K)+sqrt(K+(8*xt)))^2)/16)))*(ITC_CELL_VOL+((.001*injv)/2))))/(syrng_C_%Q*injv*0.001)
//NDH=(dH*((-sqrt(K)+sqrt(K+(8*xmt*1e-3)))/4)^2*(1e-6*injv)-dH*(((-sqrt(K)+sqrt(K+(8*xmt*1e-3)))/4)^2-((-sqrt(K)+sqrt(K+(8*xt*1e-3)))/4)^2)*(ITC_CELL_VOL*1e-3+(1e-6*injv)/2))/(syrng_C_%Q*1e-3*injv*1e-6)

//Syringe Dimer Conc.//
Ds=(1/8)*(K-(K^2+8*syrng_C_%Q*K)^0.5+4*syrng_C_%Q);
//Dimer Conc. in cell at injection i//
Di=(1/8)*(K-(K^2+8*xmt*K)^0.5+4*syrng_C_%Q);
//Dimer Conc. in cell at injection i-1, Previous//
Dip=(1/8)*(K-(K^2+8*xt*K)^0.5+4*syrng_C_%Q);

NDH=(dh*(Ds*injv*0.001-(Di-Dip)*(ITC_CELL_VOL+injv*0.001/2))+OFFSET)/(syrng_C_%Q*injv*0.001);


[CONSTRAINTS]
/*Enter general linear constraints here*/


[CONSTANTS]


[Parameters Initialization]
/*Scripts to be executed to initialize parameters.*/


[INITIALIZATIONS]
/*Scripts to be executed before fitting, a good place for complicated initialization.*/


[AFTER FITTING]
%W=%H;
%Z=%H![fit.p].text$;
%B=%[%Z,@1];
%B=%B\r\n%[%Z,@2];
%B=%B\r\nChi^2 = $(nlsf.chisqr,*4);
%Z="";
%Z=%Z\r\n\g(D)H (cal/mole)\t$(nlsf.p1,*4)\t\(177)$(nlsf.e1,*3);
%Z=%Z\r\nK (mM\)\t$(nlsf.p2,*3)\t\(177)$(nlsf.e2,*2);
%Z=%Z\r\OFFSET (cal/mole)\t$(nlsf.p3,*3)\t\(177)$(nlsf.e3,*2);
label -s -sa -n fit.p %B%Z;
SaveRedirection=type.Redirection(16,3);	// SDB 1/7/99 REPORT_TO_OUTPUTLOG
type.BeginResults();		/// RKM 12/10/98 v6.0141 REPORT_TO_OUTPUTLOG
type -a %B;
type -a \g(D)H (cal/mole)\t$(nlsf.p1,*4)\t$(nlsf.e1,*3);
type -a K (mM\)\t$(nlsf.p2,*3)\t$(nlsf.e2,*2);
type.EndResults();
type.Redirection=SaveRedirection; // restore previous redirection.
delete -v SaveRedirection;
win -a %W;
queue {legend;}


[ON PARAM CHANGE]
/*Scripts to be executed when parameters change.*/


[INDEPENDENT VARIABLES]
xmt=
xt=
injv=


[DEPENDENT VARIABLES]
NDH=


[CONTROLS]
General Linear Constraints=Off
Initialization Scripts=Off
Scripts After Fitting=On
Number Of Duplicates=N/A
Duplicate Offset=N/A
Duplicate Unit=N/A
Generate Curves After Fitting=No
Curve Point Spacing=Same X as Fitting Data
Generate Peaks After Fitting=Yes
Generate Peaks During Fitting=Yes
Generate Peaks with Baseline=Yes
Paste Parameters to Plot After Fitting=Yes
Paste Parameters to Notes Window After Fitting=Yes
Generate Residuals After Fitting=No
Keep Parameters=No
Enable Parameters Initialization=0
Compile On Param Change Script=23545


[COMPILE FUNCTION]
Compile=0
Compile Parameters Initialization=0
On Param Change Scripts Enabled=0


[ORIGIN C FUNCTION HEADER]



[ORIGIN C PARAMETER INITIALIZATION HEADER]