[Concentration] %Q=%[%C,'_']; ii=%Q!ITCType.v1==0/0?1:%Q!ITCType.v1; if(ii==1) { %Q=%[%C,'_']; if($(INJV_%Q) == 0) { GetNum (C in Syringe(mM)) SYRNG_C_%Q (C in Cell(mM)) CELL_C_%Q (Cell Vol.(ml)) ITC_CELL_VOL (For Data %Q); } else { Getnum (C in Syringe(mM)) SYRNG_C_%Q (C in Cell(mM)) CELL_C_%Q (Inject Vol.(ul)) INJV_%Q (Cell Vol.(ml)) ITC_CELL_VOL (For Data %Q); } NewConc.run(); } else { %Q=%[%C,'_']; if($(INJV_%Q) == 0) { GetNum (C in Syringe(mM)) SYRNG_C_%Q (Inject Vol.(ul)) INJV_%Q (Cell Vol.(ml)) ITC_CELL_VOL (For Data %Q); } else { Getnum (C in Syringe(mM)) SYRNG_C_%Q (Inject Vol.(ul)) INJV_%Q (Cell Vol.(ml)) ITC_CELL_VOL (For Data %Q); } } if (FDLOG.choice==5) run.section(ITC,DissocNewConc); if (FDLOG.choice==6) run.section(ITC,DissocNewConc); return 0; [RemoveBadData] %Q=%[%C,'_']; def EndToolbox { ;i1=_indx[1]; %C[i1]=0/0}; GetPts 1 (Click the point you want to remove, then hit ENTER); return 0; [SaveAreaData] #Save Area Data %C to a disk file %Q=%[%C,'_']; FDLOG.NumTypes=2; FDLOG.Type1$=[Area Data (*.DH)] *.DH; FDLOG.Type2$=[Other (*.*)] *.*; FDLOG.default$=%Q; FDLOG.ShowComment=0; // close the comments box if(FDLOG.SaveAs(A)) return 1; %B=FDLOG.path$; if(file.exists(%B%A)) { file.remove(%B%A); } hfile=file.open(%B%A,2); file.lwrite("10"); file.lwrite("0,$(INJ_NUM),0,$(INJV_%Q),0"); file.lwrite("$(TEMP_%Q),$(CELL_C_%Q),$(SYRNG_C_%Q),$(ITC_CELL_VOL),0"); file.lwrite("0"); file.lwrite("0"); get %Q_DH -e jj; loop(ii,1,jj) { file.lwrite("$(%Q_INJV[ii]),$(%Q_DH[ii])"); } file.close(hfile); type -v -b "ITC area data is saved into the file %B%A."; return 0; [SubtractRefData] dialog.start(OmDlg,SubBase); return 0; [OneSetofSites] BindBegFit; nlsf.y$=%C; //nlsf -0; if(SIM==1) { get %Q_NDH -e totalpts; for(SSS=1;SSS<=totalpts;SSS+=1) {if(abs(%Q_NDH[SSS])>=0) {startindex=SSS; break;}}; h=%Q_NDH[startindex]; Store_H=H; } nlsf.control(fit); AddInfo; return 0; [TwoSetsofSites] BindBegFit; nlsf.func$=TwoSITES; if(SIM==1) { get %Q_NDH -e totalpts; for(SSS=1;SSS<=totalpts;SSS+=1) {if(abs(%Q_NDH[SSS])>=0) {startindex=SSS; break;}}; h=%Q_NDH[startindex]; Store_H=H; } n1=n*0.4; n2=n*0.6; K1=K;K2=K;H1=H;H2=H; nlsf.y$=%C; //nlsf -0; nlsf.control(fit); AddInfo; [SequentialBindingSites] BindBegFit; NumPeaks=nint(n); GetN (Num of Sites?) NumPeaks; nlsf.func$="SequentialBindingSites"; nlsf.numReplica=NumPeaks - 1; H=Store_H; for(i=1;i<=NumPeaks;i+=1) { K$(i)=K; H$(i)=H; }; nlsf.y$=%C; //nlsf -0; nlsf.control(fit); AddInfo; del -v Store_H; [CompetitiveBinding] ITCWindow; %Q=%[%C,'_']; nlsf.cleanupfitdata(); nlsf.tolerance=0; nlsf.func$=CompetitiveBinding1; def Endfit BindEndFit; //nlsf.x1$=%Q_Xt; //nlsf.x2$=%Q_Mt; nlsf.x1$=%Q_InjV; nlsf.x2$=%Q_xMt; nlsf.fitdata$=%Q_NDH; //NoFitCurve=-1; //return 0; //nlsf.control(fit); dialog.start(OmDlg,CompLigand); [Dissociation] nlsf.func$=Dissociation; def Endfit BindEndFit; %Q=%[%C,"_"]; nlsf.x1$=%Q_xMt; nlsf.x2$=%Q_xt; nlsf.x3$=%Q_injv; dH=%Q_Ndh[1]; K=0.5; OFFSET=0; nlsf.y$=%Q_NDH; nlsf.control(fit); return 0;