"B_HEADER"
"DataFit:  Version 8.1"
"Independentvariables = 1"
"E_HEADER"
"Begin_equations"
"(F0N+(SN*X)+((F0D+SD*X)*F2))/(1+F2)"
"DH+(CP*(X-TM))-(X*DS)-(X*CP*LN(X/TM))"
"EXP(-(F1)/(8.314*X))"
""
""
""
""
""
""
""
"Spectroscopic Protein Denaturation by Temperature with Delta Cp"
"Begin_description"
"6 Parameter fit of protein denaturation by temperature (K)
Can be either CD or Fluorescence or other spectroscopic data.
Includes term for Delta Cp. TEMP MUST BE IN KELVIN!
Y INTERCEPT VALUES FOR BASELINES ARE AT 0 K!"
"End_description"
8
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"(F0N+(SN*X)+((F0D+SD*X)*F2))/(1+F2)"
"DH-(X*DS)"
"EXP(-(F1)/(8.314*X))"
""
""
""
""
""
""
""
"Spectroscopic Protein Denaturation by Temperature"
"Begin_description"
"6 Parameter fit of protein denaturation by temperature (K)
Can be either CD or Fluorescence or other spectroscopic data.
TEMPERATURE MUST BE IN KELVIN!
Y INTERCEPT VALUES FOR BASELINES ARE AT 0 K!"
"End_description"
6
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"(F0N+(SN*X)+((F0D+SD*X)*F2))/(1+F2)"
"DG+(M*X)"
"EXP(-(F1)/(8.341*T))"
""
""
""
""
""
""
""
"Spectroscopic Protein Denaturation by Denaturant"
"Begin_description"
"6 Parameter fit of protein denaturation by denaturant.
Can be either CD or Fluorescence or other spectroscopic data."
"End_description"
7
"Value","20759.5"
"Value","-2526.2"
"Value","2633.42"
"Value","-18665"
"Value","502.311"
"Value","74.1623"
"Value","298.15"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"F4+F5*(1-F2)+(F3^2*F2*(1-F2)/(8.341*X^2))"
"-DA*X*(X-TD)-DB*X*LN(X/TD)+DC*(1-X/TD)"
"(1+EXP(-F1/(8.314*X)))^-1"
"(DA*X^2)+(DB*X)+DC"
"(2*A0*X)+B0"
"(2*DA*X)+DB"
""
""
""
""
"Protein Denaturation by DSC Non-TD Format"
"Begin_description"
"DSC data analysis using 2 state double deconvolution model.
DATA MUST BE IN KELVIN AND JOULES!
*NON TD FORMAT*"
"End_description"
6
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"F1+(F3*(1-F5))+((F2^2*F5*(1-F5))/(8.314*X^2))"
"2*A0*(X-TD)+B0TD"
"(DA*(X-TD)^2)+(DBTD*(X-TD))+DCTD"
"2*DA*(X-TD)+DBTD"
"-DA*X*(X-TD)-((-2*DA*TD+DBTD)*X*LN(X/TD))+((DA*TD^2-DBTD*TD+DCTD)*(1-X/TD))"
"(1+EXP(-F4/(8.314*X)))^-1"
""
""
""
""
"Protein Denaturation by DSC TD Format"
"Begin_description"
"DSC data analysis using 2 state double deconvolution model.
DATA MUST BE IN KELVIN AND JOULES!
*TD FORMAT*"
"End_description"
6
"Value","557.242202465035"
"Value","-120000"
"Value","-336"
"Value","6501"
"Value","257250"
"Value","312.57"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"F4+F5*(1-F2)+(F3^2*F2*(1-F2)/(8.341*X^2))"
"-0.5*DA*X*(X^2 - TD^2)-DB*X*(X-TD)-DC*X*LN(X/TD)+DD*(1-X/TD)"
"(1+EXP(-F1/(8.314*X)))^-1"
"(DA*X^3)+(DB*X^2)+(DC*X)+DD"
"(3*A0*X^2)+(2*B0*X)+C0"
"(3*DA*X^2)+(2*DB*X)+DC"
""
""
""
""
"Protein Denaturation by DSC Non-TD Format 2nd-Order Polynomial"
"Begin_description"
"DSC data analysis using 2 state double deconvolution model.
DATA MUST BE IN KELVIN AND JOULES!
*NON TD FORMAT*
CN(T) CD(T) and DeltaCp(T) functions are second order polynomials
DeltaH(T) is a third order polynomial"
"End_description"
8
"Value","0"
"Value","436"
"Value","-400571"
"Value","0"
"Value","-336.6"
"Value","216923"
"Value","-34659929"
"Value","312.568"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"-DA*X*(X-TD)-DB*X*LN(X/TD)+DC*(1-X/TD)"
"-0.5*DA*X*(X^2 - TD^2)-DB*X*(X-TD)-DC*X*LN(X/TD)+DD*(1-X/TD)"
"(1+EXP(-F1/(8.314*X)))^-1"
"(DA*X^3)+(DB*X^2)+(DC*X)+DD"
"(3*A0*X^2)+(2*B0*X)+C0"
"(3*DA*X^2)+(2*DB*X)+DC"
""
""
""
""
"Delta G from DSC data Non-TD format 2nd order polynomial"
"Begin_description"
"Calculation of delta G as a function of temp from DSC data
derived from Non-TD format
TEMP IN KELVIN
DATA IN JOULES"
"End_description"
4
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"F1+(F2*(1-F6))+((F3^2*F6*(1-F6))/(8.314*X^2))"
"3*A0*(X-TD)^2+2*B0*(X-TD)+C0TD"
"3*DA*(X-TD)^2+2*DB*(X-TD)+DCTD"
"DA*(X-TD)^3+DB*(X-TD)^2+DCTD*(X-TD)+DDTD"
"((LN(X)-LN(TD)+3/2)*TD^2-2*X*TD+1/2*X^2)*3*DA+((-1+LN(TD)-LN(X))*TD+X)*2*DB+(LN(X)-LN(TD))*DCTD+DDTD/TD"
"F3-(X*F4)"
"(1+EXP(-F5/(8.314*X)))^-1"
""
""
""
"DSC 2nd Order Polynomial TD-FORMAT"
"Begin_description"
"F1 is CN(T)
F2 is Delta Cp(T)
F3 is Enthalpy(T)
F4 is Entropy(T)
F5 is DeltaG(T)
F6 is FN(T)"
"End_description"
8
"Value","0"
"Value","435.4"
"Value","-128000"
"Value","0"
"Value","-335.5"
"Value","6497"
"Value","257300"
"Value","312.6"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"F1+(F2*(1-F6))+((F3^2*F6*(1-F6))/(8.314*X^2))"
"3*A0*(X-TD)^2+2*B0*(X-TD)+C0TD"
"3*(A1-A0)*(X-TD)^2+2*(B1-B0)*(X-TD)+(C1TD-C0TD)"
"(A1-A0)*(X-TD)^3+(B1-B0)*(X-TD)^2+(C1TD-C0TD)*(X-TD)+DDTD"
"((LN(X)-LN(TD)+3/2)*TD^2-2*X*TD+1/2*X^2)*3*(A1-A0)+((-1+LN(TD)-LN(X))*TD+X)*2*(B1-B0)+(LN(X)-LN(TD))*(C1TD-C0TD)+DDTD/TD"
"F3-(X*F4)"
"(1+EXP(-F5/(8.314*X)))^-1"
""
""
""
"DSC 2nd Order Polynomial TD-FORMAT independent baselines"
"Begin_description"
"F1 is CN(T)
F2 is Delta Cp(T)
F3 is Enthalpy(T)
F4 is Entropy(T)
F5 is DeltaG(T)
F6 is FN(T)"
"End_description"
8
"Value","0"
"Value","0"
"Value","1"
"Value","1"
"Value","-45000"
"Value","-45000"
"Value","235000"
"Value","315"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"F1+(F2*(1-F6))+((F3^2*F6*(1-F6))/(8.314*X^2))"
"3*A0*(X-TD)^2+2*B0*(X-TD)+C0TD"
"3*(A1-A0)*(X-TD)^2+2*(B1-B0)*(X-TD)+(DCTD)"
"(A1-A0)*(X-TD)^3+(B1-B0)*(X-TD)^2+(DCTD)*(X-TD)+DDTD"
"((LN(X)-LN(TD)+3/2)*TD^2-2*X*TD+1/2*X^2)*3*(A1-A0)+((-1+LN(TD)-LN(X))*TD+X)*2*(B1-B0)+(LN(X)-LN(TD))*(DCTD)+DDTD/TD"
"F3-(X*F4)"
"(1+EXP(-F5/(8.314*X)))^-1"
""
""
""
"DSC 2nd Order Polynomial TD-FORMAT independent baselines and DCp"
"Begin_description"
"F1 is CN(T)
F2 is Delta Cp(T)
F3 is Enthalpy(T)
F4 is Entropy(T)
F5 is DeltaG(T)
F6 is FN(T)"
"End_description"
8
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"A1*Exp(-Ka*X)+A2*Exp(-Kb*X)+A3*Exp(-Kc*X)+C"
"3*A0*(X-TD)^2+2*B0*(X-TD)+C0TD"
"3*(A1-A0)*(X-TD)^2+2*(B1-B0)*(X-TD)+(DCTD)"
"(A1-A0)*(X-TD)^3+(B1-B0)*(X-TD)^2+(DCTD)*(X-TD)+DDTD"
"((LN(X)-LN(TD)+3/2)*TD^2-2*X*TD+1/2*X^2)*3*(A1-A0)+((-1+LN(TD)-LN(X))*TD+X)*2*(B1-B0)+(LN(X)-LN(TD))*(DCTD)+DDTD/TD"
"F3-(X*F4)"
"(1+EXP(-F5/(8.314*X)))^-1"
""
""
""
"Stopped flow 3 exp"
"Begin_description"
"Stopped flow data with 3 exponential rate constants"
"End_description"
7
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Value","1"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"LN(kf0*EXP(mkf*X)+ku0*EXP(mku*X))"
"3*A0*(X-TD)^2+2*B0*(X-TD)+C0TD"
"3*(A1-A0)*(X-TD)^2+2*(B1-B0)*(X-TD)+(DCTD)"
"(A1-A0)*(X-TD)^3+(B1-B0)*(X-TD)^2+(DCTD)*(X-TD)+DDTD"
"((LN(X)-LN(TD)+3/2)*TD^2-2*X*TD+1/2*X^2)*3*(A1-A0)+((-1+LN(TD)-LN(X))*TD+X)*2*(B1-B0)+(LN(X)-LN(TD))*(DCTD)+DDTD/TD"
"F3-(X*F4)"
"(1+EXP(-F5/(8.314*X)))^-1"
""
""
""
"chevron plot"
"Begin_description"
"chevron plot"
"End_description"
4
"Value","70"
"Value","0.043"
"Value","-6.2"
"Value","0.5"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"A1*Exp(-Ka*X)+A2*Exp(-Kb*X)+C"
"3*A0*(X-TD)^2+2*B0*(X-TD)+C0TD"
"3*(A1-A0)*(X-TD)^2+2*(B1-B0)*(X-TD)+(DCTD)"
"(A1-A0)*(X-TD)^3+(B1-B0)*(X-TD)^2+(DCTD)*(X-TD)+DDTD"
"((LN(X)-LN(TD)+3/2)*TD^2-2*X*TD+1/2*X^2)*3*(A1-A0)+((-1+LN(TD)-LN(X))*TD+X)*2*(B1-B0)+(LN(X)-LN(TD))*(DCTD)+DDTD/TD"
"F3-(X*F4)"
"(1+EXP(-F5/(8.314*X)))^-1"
""
""
""
"Stopped flow 2 exp"
"Begin_description"
"Stopped flow data with 2 exponential rate constants"
"End_description"
5
"Value","1.23"
"Value","1.53"
"Value","4.55"
"Value","4.6"
"Value","21.3"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"A1*Exp(-Ka*X)+C"
"3*A0*(X-TD)^2+2*B0*(X-TD)+C0TD"
"3*(A1-A0)*(X-TD)^2+2*(B1-B0)*(X-TD)+(DCTD)"
"(A1-A0)*(X-TD)^3+(B1-B0)*(X-TD)^2+(DCTD)*(X-TD)+DDTD"
"((LN(X)-LN(TD)+3/2)*TD^2-2*X*TD+1/2*X^2)*3*(A1-A0)+((-1+LN(TD)-LN(X))*TD+X)*2*(B1-B0)+(LN(X)-LN(TD))*(DCTD)+DDTD/TD"
"F3-(X*F4)"
"(1+EXP(-F5/(8.314*X)))^-1"
""
""
""
"Stopped flow 1 exp"
"Begin_description"
"Stopped flow data with 1 exponential rate constants"
"End_description"
3
"Value","2"
"Value","4.5"
"Value","10"
"Numerical"
"Numerical"
"Numerical"
"(V*X)/(K+X)"
"3*A0*(X-TD)^2+2*B0*(X-TD)+C0TD"
"3*(A1-A0)*(X-TD)^2+2*(B1-B0)*(X-TD)+(DCTD)"
"(A1-A0)*(X-TD)^3+(B1-B0)*(X-TD)^2+(DCTD)*(X-TD)+DDTD"
"((LN(X)-LN(TD)+3/2)*TD^2-2*X*TD+1/2*X^2)*3*(A1-A0)+((-1+LN(TD)-LN(X))*TD+X)*2*(B1-B0)+(LN(X)-LN(TD))*(DCTD)+DDTD/TD"
"F3-(X*F4)"
"(1+EXP(-F5/(8.314*X)))^-1"
""
""
""
"Michaelis Menten equation"
"Begin_description"
"End_description"
2
"Value","1"
"Value","1"
"Numerical"
"Numerical"
"((1/2*F3+1/18*F3*(4*F3+27)^(1/2)*3^(1/2))^(1/3)-1/3*F3/(1/2*F3+1/18*F3*(4*F3+27)^(1/2)*3^(1/2))^(1/3))*(F0D+SD*X-(F0N+SN*X))+F0N+SN*X"
"DG0+(M*X)"
"EXP(-(F1)/(8.341*T))"
"F2/(27*C^2)"
""
""
""
""
""
""
"2 state trimer"
"Begin_description"
"End_description"
8
"Value","0.000002"
"Value","70000"
"Value","492.8"
"Value","1194"
"Value","-10000"
"Value","34.5"
"Value","30.96"
"Value","298.15"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"((1/2*F4+1/18*F4*(4*F4+27)^(1/2)*3^(1/2))^(1/3)-1/3*F4/(1/2*F4+1/18*F4*(4*F4+27)^(1/2)*3^(1/2))^(1/3))*(F0D+SD*X-(F0N+SN*X))+F0N+SN*X"
"27*C^2"
"LN(1/4*F1)"
"8.314*T/M*F2"
"EXP(-((CM+F3)*(-M)+M*X)/(8.314*T))/F1"
""
""
""
""
""
"2state trimer at Cm"
"Begin_description"
"End_description"
8
"Value","0.000004"
"Value","2"
"Value","1000"
"Value","2500"
"Value","-8000"
"Value","0"
"Value","0"
"Value","298.15"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"F9"
"DH+(DCP*(X-TM))"
"0.25*27*(CTOT^2)*EXP((-F1/(8.314*X))*(1-(X/TM))-(DCP/(8.314*X))*(X-TM-(X*LN((X/TM)))))"
"F2/(27*CTOT^2)"
"(F3*(0.5+((3^0.5*(((4*F3)+27)^0.5))/18)))^(1/3)"
"F3/(F3*(0.5+((3^0.5*(((4*F3)+27)^0.5))/18)))^(1/3)"
"F4-((1/3)*F5)"
"(F1^2/(8.314*X^2))*((F6*(1-F6))/(3-(2*F6)))"
"(F6*(CPNS*X+CPN0+DCP))+((1-F6)*(CPNS*X+CPN0))"
"F7+F8"
"DSC of Trimer with const DCp"
"Begin_description"
"To fit DSC data of a homotrimer and where the Trimer (native) 
heat capacity function is linear and the DCp function is a constant"
"End_description"
6
"Value","1"
"Value","0"
"Value","40E-6"
"Value","5000"
"Value","400000"
"Value","335"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"F9"
"DH+(DCP*(X-TM))"
"0.25*27*(CTOT^2)*EXP((-F1/(8.314*X))*(1-(X/TM))-(DCP/(8.314*X))*(X-TM-(X*LN((X/TM)))))"
"F2/(27*CTOT^2)"
"(F3*(0.5+((3^0.5*(((4*F3)+27)^0.5))/18)))^(1/3)-((1/3)*F3/(F3*(0.5+((3^0.5*(((4*F3)+27)^0.5))/18)))^(1/3))"
"(F1^2/(8.314*X^2))*((F4*(1-F4))/(3-(2*F4)))"
"(CPNS*X)+CPN0"
"(CPDS*X)+TM*(CPNS-CPDS)+CPN0+DCP"
"F4*F7+(1-F4)*F6"
"F8+F5"
"DSC of Trimer with independent linear CpN and CpD functions"
"Begin_description"
"To fit DSC data of a homotrimer and where the Trimer (native) 
heat capacity function and Monomer (denatured) heat capacity
functions are both linear but independent"
"End_description"
7
"Value","1"
"Value","1"
"Value","1"
"Value","40e-6"
"Value","4000"
"Value","400000"
"Value","333"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"Numerical"
"End_equations"