Re: [R] using nls to fit a four parameter logistic model

2004-08-17 Thread Rogers, James A [PGRD Groton]
Shalini,

I think your hill equation is meant to just be an alternative
parameterization of the four parameter logistic (BTW, the hill
*coefficient* is a function of the slope parameter of the FPL, but I don't
believe hill equation is standard terminology). Note conc is the input
in this parameterization, not log(conc). 

 nls(log(il10)~A+(B-A)/(1+(conc/xmid )^scal),data=test,
+ start = list(A=3.5, B=15,
+   xmid=600,scal=1/2.5))
Nonlinear regression model
  model:  log(il10) ~ A + (B - A)/(1 + (conc/xmid)^scal) 
   data:  test 
  A   Bxmidscal 
 14.7051665   3.7964534 607.9822962   0.3987786 
 residual sum-of-squares:  0.1667462 

To see the equivalence to the other parametrization that you used, note

 1/2.507653
[1] 0.3987793
 log(607.9822962)
[1] 6.410146

--Jim

 Message: 17
 Date: Mon, 16 Aug 2004 11:25:57 -0500
 From: [EMAIL PROTECTED]
 Subject: [R] using nls to fit a four parameter logistic model
 To: [EMAIL PROTECTED]
 Message-ID:
   [EMAIL PROTECTED]
 Content-Type: text/plain; charset=US-ASCII
 
 I am working on what appears to be a fairly simple problem for the
 following data
 
  test=data.frame(cbind(conc=c(25000, 12500, 6250, 3125, 1513, 781, 391,
 195, 97.7, 48.4, 24, 12, 6, 3, 1.5, 0.001),
  il10=c(330269, 216875, 104613, 51372, 26842, 13256, 7255, 3049, 1849,
743,
 480, 255, 241, 128, 103, 50)))
 I am able to fit the above data to the equation
 
  nls(log(il10)~A+(B-A)/(1+exp((xmid-log(conc))/scal)),data=test,
 +  start = list(A=log(0.001), B=log(10),
 + xmid=log(6000),scal=0.8))
 Nonlinear regression model
   model:  log(il10) ~ A + (B - A)/(1 + exp((xmid - log(conc))/scal))
data:  test
 A B  xmid  scal
  3.796457 14.705159  6.410144  2.507653
  residual sum-of-squares:  0.1667462
 
 
 But in attempting to achieve a fit to what is commonly known as the hill
 equation, which is a four parameter fit that is used widely in biological
 data analysis
 
 nls(log(il10)~A+(B-A)/(1+(log(conc)/xmid )^scal),data=test,
 + start = list(A=log(0.001), B=log(10),  xmid=log(6000),scal=0.8))
 
 Nonlinear regression model
   model:  log(il10) ~ A + (B - A)/(1 + (log(conc)/xmid )^scal)
 
 Error in numericDeriv(form[[3]], names(ind), env) :
 Missing value or an Infinity produced when evaluating the model
 
 
 
 Please would someone offer a suggestion
 
 Shalini

James A. Rogers 
Manager, Nonclinical Statistics
PGRD Groton Labs
Eastern Point Road (MS 260-1331)
Groton, CT 06340
office: (860) 686-0786
fax: (860) 715-5445
 


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Re: [R] using nls to fit a four parameter logistic model

2004-08-17 Thread Spencer Graves
 In your second model, log(conc) is negative for conc = 0.001.  
This observation will generate NA for (log(conc)/xmid)^scal unless scal 
is an integer or xmid is also negative.  In the latter case, 
(log(conc)/xmid)^scal will be NA for all but that last value unless scal 
is an integer. 

 What do your biological references do with this model for 
concentrations less than 1? 

 If you delete that observation, the algorithm can still die 
testing a value for xmid = 0.  To avoid these cases, I routine 
parameterize problems like this in terms of ln.xmid, something like the 
following: 
   
   log(il10)~A+(B-A)/(1+(log(conc)/exp(ln.xmid))^scal). 

 hope this helps.  spencer graves
[EMAIL PROTECTED] wrote:
Shalini Raghavan
3M Pharmaceuticals Research
Building 270-03-A-10, 3M Center
St. Paul, MN  55144
E-mail: [EMAIL PROTECTED]
Tel:  651-736-2575
Fax:  651-733-5096
- Forwarded by Shalini Raghavan/US-Corporate/3M/US on 08/16/2004 11:25
AM -
  
Shalini   
Raghavan/US-Corpo 
rate/3M/US To 
  [EMAIL PROTECTED]   
08/16/2004 08:57   cc 
AM
  Subject 
  Fw: using nls to fit a four 
  parameter logistic model
  
  
  
  
  
  




I am working on what appears to be a fairly simple problem for the
following data
test=data.frame(cbind(conc=c(25000, 12500, 6250, 3125, 1513, 781, 391,
195, 97.7, 48.4, 24, 12, 6, 3, 1.5, 0.001),
il10=c(330269, 216875, 104613, 51372, 26842, 13256, 7255, 3049, 1849, 743,
480, 255, 241, 128, 103, 50)))
 

test
   

   conc   il10
1  25000.000 330269
2  12500.000 216875
3   6250.000 104613
4   3125.000  51372
5   1513.000  26842
6781.000  13256
7391.000   7255
8195.000   3049
9 97.700   1849
1048.400743
1124.000480
1212.000255
13 6.000241
14 3.000128
15 1.500103
16 0.001 50
I am able to fit the above data to the equation
 

nls(log(il10)~A+(B-A)/(1+exp((xmid-log(conc))/scal)),data=test,
   

+  start = list(A=log(0.001), B=log(10),
+ xmid=log(6000),scal=0.8))
Nonlinear regression model
 model:  log(il10) ~ A + (B - A)/(1 + exp((xmid - log(conc))/scal))
  data:  test
   A B  xmid  scal
3.796457 14.705159  6.410144  2.507653
residual sum-of-squares:  0.1667462
But in attempting to achieve a fit to what is commonly known as the hill
equation, which is a four parameter fit that is used widely in biological
data analysis
nls(log(il10)~A+(B-A)/(1+(log(conc)/xmid )^scal),data=test,
+ start = list(A=log(0.001), B=log(10),  xmid=log(6000),scal=0.8))
Nonlinear regression model
 model:  log(il10) ~ A + (B - A)/(1 + (log(conc)/xmid )^scal)
Error in numericDeriv(form[[3]], names(ind), env) :
   Missing value or an Infinity produced when evaluating the model

Please would someone offer a suggestion
Shalini
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[R] using nls to fit a four parameter logistic model

2004-08-16 Thread sraghavan




Shalini Raghavan
3M Pharmaceuticals Research
Building 270-03-A-10, 3M Center
St. Paul, MN  55144
E-mail: [EMAIL PROTECTED]
Tel:  651-736-2575
Fax:  651-733-5096

- Forwarded by Shalini Raghavan/US-Corporate/3M/US on 08/16/2004 11:25
AM -
   
 Shalini   
 Raghavan/US-Corpo 
 rate/3M/US To 
   [EMAIL PROTECTED]   
 08/16/2004 08:57   cc 
 AM
   Subject 
   Fw: using nls to fit a four 
   parameter logistic model
   
   
   
   
   
   







I am working on what appears to be a fairly simple problem for the
following data

 test=data.frame(cbind(conc=c(25000, 12500, 6250, 3125, 1513, 781, 391,
195, 97.7, 48.4, 24, 12, 6, 3, 1.5, 0.001),
 il10=c(330269, 216875, 104613, 51372, 26842, 13256, 7255, 3049, 1849, 743,
480, 255, 241, 128, 103, 50)))
 test
conc   il10
1  25000.000 330269
2  12500.000 216875
3   6250.000 104613
4   3125.000  51372
5   1513.000  26842
6781.000  13256
7391.000   7255
8195.000   3049
9 97.700   1849
1048.400743
1124.000480
1212.000255
13 6.000241
14 3.000128
15 1.500103
16 0.001 50

I am able to fit the above data to the equation

 nls(log(il10)~A+(B-A)/(1+exp((xmid-log(conc))/scal)),data=test,
+  start = list(A=log(0.001), B=log(10),
+ xmid=log(6000),scal=0.8))
Nonlinear regression model
  model:  log(il10) ~ A + (B - A)/(1 + exp((xmid - log(conc))/scal))
   data:  test
A B  xmid  scal
 3.796457 14.705159  6.410144  2.507653
 residual sum-of-squares:  0.1667462


But in attempting to achieve a fit to what is commonly known as the hill
equation, which is a four parameter fit that is used widely in biological
data analysis

nls(log(il10)~A+(B-A)/(1+(log(conc)/xmid )^scal),data=test,
+ start = list(A=log(0.001), B=log(10),  xmid=log(6000),scal=0.8))

Nonlinear regression model
  model:  log(il10) ~ A + (B - A)/(1 + (log(conc)/xmid )^scal)

Error in numericDeriv(form[[3]], names(ind), env) :
Missing value or an Infinity produced when evaluating the model



Please would someone offer a suggestion

Shalini

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