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Screensize: 640 x 480 800 x 600 1024 x 768 1280 x 1024 UserName: Password: Anti-Spam Code: Format Mode: Basic  Help  Prompt  Format: Font Andale Mono Arial Arial Black Book Antiqua Century Gothic Comic Sans MS Courier New Georgia Impact Lucida Console Script MT Bold Stencil Tahoma Times New Roman Trebuchet MS Verdana   Size 1 2 3 4 5 6   Color Black Red Yellow Pink Green Orange Purple Blue Beige Brown Teal Navy Maroon LimeGreen Message: * HTML is OFF * Forum Code is ON Smilies [quote][i]Originally posted by wbturnbull[/i] [br]I have a couple of problems with a function definition file that I have written (based on a file that I was given that works fine...). (1) I get warning messages that it is not generating values when I try to run it in Origin after assigning all of the variables and giving it reasonable starting values. However, if I define the variables in the script window (Xt=%H_Xt; etc...) and copy and paste the script in en bloc and execute it ,it does generate reasonable values. (2) It also apparently plots lines for two functions that I define (numerator(x) and denominator(x)) along with lines for two of the datasets generated in the calculation (k and DQ). (3) Also, when I was trying to set up the variables in the script window I kept finding that direct definitions along the lines of: InjVM=%H_InjV/1E6; worked only sometimes - other times it seemed to ignore the command... However, InjVM=%H_InjV; InjVM/=1E6; was a bit more reliable. The full fdf is pasted below, any suggestions about what is wrong would be gratefully received as I only have one example of an fdf file to work from. [GENERAL INFORMATION] Function Name=AB5 Brief Description=AB5 Function Source=N/A Function Type=User-Defined Function Form=Y-Script Number Of Parameters=6 Number Of Independent Variables=4 Number Of Dependent Variables=1 [FITTING PARAMETERS] Naming Method=User-Defined Names=K1,H1,K2,H2,Xsyr,V0 Meanings=K1 (/M),H1 (cal/mol),K2 (/M),H2 (cal/mol),[X] in syringe (mM),cell volume (L) Initial Values=--(V),--(V),--(V),--(V) ,--(F),0.0014109(F) Lower Bounds=--(X,OFF) Upper Bounds=--(X,OFF) Number Of Significant Digits=6,6,6,6,6,6 [FORMULA] MtB5=Mt; MtB5/=5000;#assumes Mt is [B-subunit] in mM, MtB5 is [B5-pentamer] in mol/l. XtM=Xt; XtM/=1000;#total ligand in mol/l. InjVM=injV; InjVM/=1000000;#injection volume in L. XsyrM=Xsyr; XsyrM/=1000;#assumes [X] in syringe input in mM - converts to mol/l. f=K1; g=K2; numerator(x)=f*x+(f*g+f^2)*2*x^2+(f*g^2+f^2*g)*3*x^3+f*g^3*4*x^4+g^5*x^5; denominator(x)=1+f*5*x+(f*g+f^2)*5*x^2+(f*g^2+f^2*g)*5*x^3+f*g^3*5*x^4+g^5*x^5; create k -n 1000; for (i=1;MtB5[i]>0;i+=1) { a=0;#initial value for low boundary. c=XtM[i];#initial value for high boundary. d=XtM[i];#c is a starting value that is varied, d is always XtM[i]. e=MtB5[i]; loop(j,1,40) { b=((c-a)/2+a); k[i]=b;#writes xmid to element i of "k" dataset. Ya=a-d+e*5*numerator(a)/denominator(a); Yb=b-d+e*5*numerator(b)/denominator(b); if (Yb==0||(c-a)<=d*0.0001) {break;};#0.0001 works well if (Yb*Ya<0) {c=b;} else {a=b;}; }; };#dataset "k" contains values for [free ligand] obtained from a bisection search. Q=MtB5*5*V0*(f*k*H1+f*g*(H1+H2)*k^2+f^2*2*H1*k^2+f*g^2*(H1+2*H2)*k^3+f^2*g*(2*H1+H2)*k^3+f*g^3*(H1+3*H2)*k^4+g^5*5*H2*k^5)/denominator(k); create DQ -n 1000; for (i=1; injVM[i]>0; i+=1) { DQ[i]=Q[i+1]+injVM*(Q[i+1]+Q[i])/(2*V0)-Q[i]; }; NDH=DQ/(injVM*XsyrM); [CONSTRAINTS] /*Enter general linear constraints here*/ [CONSTANTS] [INITIALIZATIONS] /*Scripts to be executed before fitting, a good place for complicated initialization.*/ [AFTER FITTING] /*Scripts to be executed after fitting, a good place for generating results.*/ [INDEPENDENT VARIABLES] injV= Xt= Mt= XMt= [DEPENDENT VARIABLES] NDH= [CONTROLS] General Linear Constraints=Off Initialization Scripts=Off Scripts After Fitting=Off Number Of Duplicates=N/A Duplicate Offset=N/A Duplicate Unit=N/A Generate Curves After Fitting=Yes Curve Point Spacing=Same X as Fitting Data Generate Peaks After Fitting=No Generate Peaks During Fitting=No Generate Peaks with Baseline=No Paste Parameters to Plot After Fitting=Yes Paste Parameters to Script Window After Fitting=Yes Generate Residue After Fitting=No Keep Parameters=Yes [/quote]   Check here to include your profile signature. Check here to subscribe to this topic.