compute.cwres: Compute the Conditional Weighted Residuals
In anniejw6/metrumrg: Pharmacometric Tools for Data Preparation, Modeling, Simulation, and Reporting
Description
Usage
Arguments
Details
Value
Setting up the NONMEM model file
Author(s)
References
See Also
Description
This function computes the conditional weighted residuals (CWRES) from a NONMEM
run. CWRES are an extension of the weighted residuals (WRES), but
are calculated based on the first-order with conditional estimation (FOCE)
method of linearizing a pharmacometric model (WRES are calculated
based on the first-order (FO) method). The function requires a NONMEM table file
and an extra output file that must be explicitly asked for when
running NONMEM. See details below.
Usage
1
2
3
4
5
6
7
8
9
10
compute.cwres(run.number,
tab.prefix="cwtab",
sim.suffix="",
est.tab.suffix=".est",
deriv.tab.suffix=".deriv",
old.file.convention=FALSE,
id="ALL",
printToOutfile=TRUE,
onlyNonZero=TRUE,
...)
Arguments
run.number
The run number of the NONMEM from which the CWRES
are to be calculated.
tab.prefix
The prefix to two NONMEM file containing the
needed values for the computation of the CWRES, described in the
details section.
sim.suffix
The suffix ,before the ".", of the NONMEM file containing the
needed values for the computation of the CWRES, described in the
details section. For example, the table files might be named
cwtab1sim.est and cwtab1sim.deriv, in which case
sim.suffix="sim".
est.tab.suffix
The suffix, after the ".", of the NONMEM file
containing the estimated parameter values needed for the CWRES calculation.
deriv.tab.suffix
The suffix, after the ".", of the NONMEM file
containing the derivatives of the model with respect to the random
parameters needed for the CWRES calculation.
old.file.convention
For backwards compatibility. Use this if
you are using the previous file convention for CWRES (table files
named cwtab1, cwtab1.50, cwtab1.51, ... , cwtab.58 for example).
id
Can be either "ALL" or a number matching an ID label in the
datasetname.
printToOutfile
Logical (TRUE/FALSE) indicating whether the
CWRES values calculated should be appended to a copy of the
datasetname. Only works if id="ALL". If chosen the
resulting output file will be datasetname.cwres.
onlyNonZero
Logical (TRUE/FALSE) indicating if the return value
(the CWRES values) of compute.cwres should include the zero
values associated with non-measurement lines in a NONMEM data file.
tab.suffix
The suffix to the NONMEM table file containing the
derivative of the model with respect to the etas and epsilons,
described in the details section.
...
Other arguments passed to basic functions in code.
Details
compute.cwresThis function is the computational 'brains' of
the CWRES computation. The function simply reads in the following two files:
1
2
3
Which might be for example:
1
2
3
cwtab1.est
cwtab1.deriv
and (depending on the input values to the function) returns the CWRES
in vector form as well as creating a new table file named:
1
2
paste(tab.prefix,run.number,sim.suffix,sep="")
Which might be for example:
1
2
cwtab1
Value
compute.cwres
Returns a vector containing the values of the
CWRES.
Setting up the NONMEM model file
In order for this function to
calculate the CWRES, NONMEM must be run while requesting certain
tables and files to be created. How these
files are created differs depending on if you are using $PRED or ADVAN
as well as the version of NONMEM you are using. These procedures are
known to work for NONMEM VI but may be different for NONMEM V. We
have attempted to indicate where NONMEM V may be different, but this
has not been extensively tested!
There are five main insertions needed in your NONMEM control file:
1. $ABB COMRES=X.
Insert this line directly after your $DATA line.
The value of X is the number of ETA() terms plus the number of EPS()
terms in your model. For example for a model with three ETA() terms
and two EPS() terms the code would look like this:
$DATA temp.csv IGNORE=@
$ABB COMRES=5
$INPUT ID TIME DV MDV AMT EVID
$SUB ADVAN2 TRANS2
2. Verbatim code.
A. Using ADVAN.
If you are using ADVAN routines in your
model, then Verbatim code should be inserted directly after
the $ERROR section of your model file. The length of the code
depends again on the number of ETA() terms and EPS() terms in your
model. For each ETA(y) in your model there is a corresponding
term G(y,1) that you must assign to a COM() variable. For each EPS(y) in
your model, there is a corresponding HH(y,1) term that you must
assign to a COM() variable.
For example for a model using ADVAN routines with three ETA() terms
and two EPS() terms the code would look like this:
"LAST
" COM(1)=G(1,1)
" COM(2)=G(2,1)
" COM(3)=G(3,1)
" COM(4)=HH(1,1)
" COM(5)=HH(2,1)
B. Using PRED.
If you are using $PRED, the verbatim
code should be inserted directly
after the $PRED section of your model file. For each ETA(y) in
your model there is a corresponding
term G(y,1) that you must assign to a COM() variable. For each EPS(y) in
your model, there is a corresponding H(y,1) term that you must
assign to a COM() variable. The code would look like this for
three ETA() terms and two EPS() terms:
"LAST
" COM(1)=G(1,1)
" COM(2)=G(2,1)
" COM(3)=G(3,1)
" COM(4)=H(1,1)
" COM(5)=H(2,1)
3. INFN routine.
A. Using ADVAN with NONMEM VIb.
If you are using ADVAN
routines in your
model, then an $INFN section should be placed directly after the
$PK section using the following code. In this example we are
assuming that the model file is named something like
'1.ctl'. NOTE: Files 51, 53, 55
and 57 are not used in the CWRES calculation and can be removed
from the NONMEM model file if problems arise due to failure of the
$COV step in a NONMEM run.
$INFN
IF (ICALL.EQ.3) THEN
OPEN(50,FILE='cwtab1.est')
WRITE(50,*) 'ETAS'
DO WHILE(DATA)
IF (NEWIND.LE.1) WRITE (50,*) ETA
ENDDO
WRITE(50,*) 'THETAS'
WRITE(50,*) THETA
WRITE(50,*) 'OMEGAS'
WRITE(50,*) OMEGA(BLOCK)
WRITE(50,*) 'SIGMAS'
WRITE(50,*) SIGMA(BLOCK)
ENDIF
B. Using ADVAN with NONMEM V.
If you are using ADVAN
routines in your
model, then you need to use an INFN subroutine.
If we call the INFN subroutine 'myinfn.for' then the $SUBS
line of your model file should include the INFN option. That
is, if we are using ADVAN2 and TRANS2 in our model file then
the $SUBS line would look like:
$SUB ADVAN2 TRANS2 INFN=myinfn.for
The 'myinfn.for' routine for 4 thetas, 3 etas and 1 epsilon
is shown below. If your model has different numbers of
thetas, etas and epsilons then the values of
NTH, NETA, and NEPS, should be changed respectively. These
vales are found in the DATA statement of the subroutine.
Please note that the 4th and 5th lines of
code should be one line with the '...' removed from each line,
reading: COMMON /ROCM6/
THETAF(40),OMEGAF(30,30),SIGMAF(30,30). NOTE: Files 51, 53, 55
and 57 are not used in the CWRES calculation and can be removed
from the subroutine if problems arise due to failure of the
$COV step in a NONMEM run.
SUBROUTINE INFN(ICALL,THETA,DATREC,INDXS,NEWIND)
DIMENSION THETA(*),DATREC(*),INDXS(*)
DOUBLE PRECISION THETA
COMMON /ROCM6/ ...
... THETAF(40),OMEGAF(30,30),SIGMAF(30,30)
COMMON /ROCM7/ SETH(40),SEOM(30,30),SESIG(30,30)
COMMON /ROCM8/ OBJECT
COMMON /ROCM9/ IERE,IERC
DOUBLE PRECISION THETAF, OMEGAF, SIGMAF
DOUBLE PRECISION OBJECT
REAL SETH,SEOM,SESIG
DOUBLE PRECISION ETA(10)
INTEGER J,I
INTEGER IERE,IERC
INTEGER MODE
INTEGER NTH,NETA,NEPS
DATA NTH,NETA,NEPS/4,3,1/
IF (ICALL.EQ.0) THEN
C open files here, if necessary
OPEN(50,FILE='cwtab1.est')
ENDIF
IF (ICALL.EQ.3) THEN
MODE=0
CALL PASS(MODE)
MODE=1
WRITE(50,*) 'ETAS'
20 CALL PASS(MODE)
IF (MODE.EQ.0) GO TO 30
IF (NEWIND.NE.2) THEN
CALL GETETA(ETA)
WRITE (50,97) (ETA(I),I=1,NETA)
ENDIF
GO TO 20
30 CONTINUE
WRITE (50,*) 'THETAS'
WRITE (50,99) (THETAF(J),J=1,NTH)
WRITE(50,*) 'OMEGAS'
DO 7000 I=1,NETA
7000 WRITE (50,99) (OMEGAF(I,J),J=1,NETA)
WRITE(50,*) 'SIGMAS'
DO 7999 I=1,NEPS
7999 WRITE (50,99) (SIGMAF(I,J),J=1,NEPS)
ENDIF
99 FORMAT (20E15.7)
98 FORMAT (2I8)
97 FORMAT (10E15.7)
RETURN
END
C. Using $PRED with NONMEM VIb.
If you are using $PRED,
then an the following code should be placed at the end of the
$PRED section of the model file (together with the verbatim
code). NOTE: Files 51, 53, 55
and 57 are not used in the CWRES calculation and can be removed
from the NONMEM model file if problems arise due to failure of the
$COV step in a NONMEM run.
IF (ICALL.EQ.3) THEN
OPEN(50,FILE='cwtab1.est')
WRITE(50,*) 'ETAS'
DO WHILE(DATA)
IF (NEWIND.LE.1) WRITE (50,*) ETA
ENDDO
WRITE(50,*) 'THETAS'
WRITE(50,*) THETA
WRITE(50,*) 'OMEGAS'
WRITE(50,*) OMEGA(BLOCK)
WRITE(50,*) 'SIGMAS'
WRITE(50,*) SIGMA(BLOCK)
ENDIF
D. Using $PRED with NONMEM V.
If you are using $PRED with
NONMEM V,
then you need to add verbatim code immediately after the $PRED
command. In this example we assume 4 thetas, 3 etas and 1
epsilon. If your model has different numbers of
thetas, etas and epsilons then the values of
NTH, NETA, and NEPS, should be changed respectively. These
vales are found in the DATA statement below. Please note that
the 3rd and 4th lines of
code should be one line with the '...' removed from each line. NOTE: Files 51, 53, 55
and 57 are not used in the CWRES calculation and can be removed
from the NONMEM model file if problems arise due to failure of the
$COV step in a NONMEM run.
$PRED
"FIRST
" COMMON /ROCM6/ ...
...THETAF(40),OMEGAF(30,30),SIGMAF(30,30)
" COMMON /ROCM7/ SETH(40),SEOM(30,30),SESIG(30,30)
" COMMON /ROCM8/ OBJECT
" DOUBLE PRECISION THETAF, OMEGAF, SIGMAF
" DOUBLE PRECISION OBJECT
" REAL SETH,SEOM,SESIG
" INTEGER J,I
" INTEGER MODE
" INTEGER NTH,NETA,NEPS
" DATA NTH,NETA,NEPS/4,3,1/
After this verbatim code you add all of the abbreviated code
needed for the $PRED routine in your model file. After the
abbreviated code more verbatim code is needed. This verbatim
code should be added before the verbatim code discussed above
under point 2.
" IF (ICALL.EQ.0) THEN
"C open files here, if necessary
" OPEN(50,FILE='cwtab1.est')
" ENDIF
" IF (ICALL.EQ.3) THEN
" MODE=0
" CALL PASS(MODE)
" MODE=1
" WRITE(50,*) 'ETAS'
" 20 CALL PASS(MODE)
" IF (MODE.EQ.0) GO TO 30
" IF (NEWIND.NE.2) THEN
" CALL GETETA(ETA)
" WRITE (50,97) (ETA(I),I=1,NETA)
" ENDIF
" GO TO 20
" 30 CONTINUE
" WRITE (50,*) 'THETAS'
" WRITE (50,99) (THETAF(J),J=1,NTH)
" WRITE (50,*) 'OMEGAS'
" DO 7000 I=1,NETA
" 7000 WRITE (50,99) (OMEGAF(I,J),J=1,NETA)
" WRITE (50,*) 'SIGMAS'
" DO 7999 I=1,NEPS
" 7999 WRITE (50,99) (SIGMAF(I,J),J=1,NEPS)
" ENDIF
" 99 FORMAT (20E15.7)
" 98 FORMAT (2I8)
" 97 FORMAT (10E15.7)
4. cwtab*.deriv table file.
A special table file needs to be
created to print out the values
contained in the COMRES variables. In addition the
ID, IPRED, MDV, DV, PRED and RES data items
are needed for the computation of the CWRES. The following code
should be added to the NONMEM model file. In this example we
continue to assume that we are using a model with three ETA() terms
and two EPS() terms, extra terms should be added for new ETA() and
EPS() terms in the model file.
$TABLE ID COM(1)=G11 COM(2)=G21 COM(3)=G31
COM(4)=H11 COM(5)=H21
IPRED MDV NOPRINT ONEHEADER FILE=cwtab1.deriv
5. $ESTIMATION.
To compute the CWRES, the NONMEM model file must use (at least) the
FO method with the POSTHOC step. If the FO method is used
and the POSTHOC step is not included then the CWRES values
will be equivalent to the WRES. The CWRES calculations are based
on the FOCE approximation, and consequently give an idea of the
ability of the FOCE method to fit the model to the data. If you
are using another method of parameter estimation (e.g. FOCE with
interaction), the CWRES will not be calculated based on the same
model linearization procedure.
Author(s)
Andrew Hooker
References
Hooker A, Staatz CE, Karlsson MO. Conditional weighted residuals, an
improved model diagnostic for the FO/FOCE methods. PAGE 15 (2006)
Abstr 1001 [http://www.page-meeting.org/?abstract=1001].
See Also
-
compute.cwres
anniejw6/metrumrg documentation built on May 10, 2019, 11:50 a.m.
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
Description Usage Arguments Details Value Setting up the NONMEM model file Author(s) References See Also
Description
This function computes the conditional weighted residuals (CWRES) from a NONMEM run. CWRES are an extension of the weighted residuals (WRES), but are calculated based on the first-order with conditional estimation (FOCE) method of linearizing a pharmacometric model (WRES are calculated based on the first-order (FO) method). The function requires a NONMEM table file and an extra output file that must be explicitly asked for when running NONMEM. See details below.
Usage
1 2 3 4 5 6 7 8 9 10 | compute.cwres(run.number,
tab.prefix="cwtab",
sim.suffix="",
est.tab.suffix=".est",
deriv.tab.suffix=".deriv",
old.file.convention=FALSE,
id="ALL",
printToOutfile=TRUE,
onlyNonZero=TRUE,
...)
|
Arguments
run.number |
The run number of the NONMEM from which the CWRES are to be calculated. |
tab.prefix |
The prefix to two NONMEM file containing the needed values for the computation of the CWRES, described in the details section. |
sim.suffix |
The suffix ,before the ".", of the NONMEM file containing the
needed values for the computation of the CWRES, described in the
details section. For example, the table files might be named
|
est.tab.suffix |
The suffix, after the ".", of the NONMEM file containing the estimated parameter values needed for the CWRES calculation. |
deriv.tab.suffix |
The suffix, after the ".", of the NONMEM file containing the derivatives of the model with respect to the random parameters needed for the CWRES calculation. |
old.file.convention |
For backwards compatibility. Use this if you are using the previous file convention for CWRES (table files named cwtab1, cwtab1.50, cwtab1.51, ... , cwtab.58 for example). |
id |
Can be either "ALL" or a number matching an ID label in the
|
printToOutfile |
Logical ( |
onlyNonZero |
Logical ( |
tab.suffix |
The suffix to the NONMEM table file containing the derivative of the model with respect to the etas and epsilons, described in the details section. |
... |
Other arguments passed to basic functions in code. |
Details
compute.cwresThis function is the computational 'brains' of
the CWRES computation. The function simply reads in the following two files:
1 2 3 |
Which might be for example:
1 2 3 | cwtab1.est
cwtab1.deriv
|
and (depending on the input values to the function) returns the CWRES in vector form as well as creating a new table file named:
1 2 | paste(tab.prefix,run.number,sim.suffix,sep="")
|
Which might be for example:
1 2 | cwtab1
|
Value
compute.cwres |
Returns a vector containing the values of the CWRES. |
Setting up the NONMEM model file
In order for this function to calculate the CWRES, NONMEM must be run while requesting certain tables and files to be created. How these files are created differs depending on if you are using $PRED or ADVAN as well as the version of NONMEM you are using. These procedures are known to work for NONMEM VI but may be different for NONMEM V. We have attempted to indicate where NONMEM V may be different, but this has not been extensively tested!
There are five main insertions needed in your NONMEM control file:
1. $ABB COMRES=X.
Insert this line directly after your $DATA line. The value of X is the number of ETA() terms plus the number of EPS() terms in your model. For example for a model with three ETA() terms and two EPS() terms the code would look like this:
$DATA temp.csv IGNORE=@ $ABB COMRES=5 $INPUT ID TIME DV MDV AMT EVID $SUB ADVAN2 TRANS22. Verbatim code.
A. Using ADVAN.
If you are using ADVAN routines in your model, then Verbatim code should be inserted directly after the $ERROR section of your model file. The length of the code depends again on the number of ETA() terms and EPS() terms in your model. For each ETA(y) in your model there is a corresponding term G(y,1) that you must assign to a COM() variable. For each EPS(y) in your model, there is a corresponding HH(y,1) term that you must assign to a COM() variable.
For example for a model using ADVAN routines with three ETA() terms and two EPS() terms the code would look like this:
"LAST " COM(1)=G(1,1) " COM(2)=G(2,1) " COM(3)=G(3,1) " COM(4)=HH(1,1) " COM(5)=HH(2,1)
B. Using PRED.
If you are using $PRED, the verbatim code should be inserted directly after the $PRED section of your model file. For each ETA(y) in your model there is a corresponding term G(y,1) that you must assign to a COM() variable. For each EPS(y) in your model, there is a corresponding H(y,1) term that you must assign to a COM() variable. The code would look like this for three ETA() terms and two EPS() terms:
"LAST " COM(1)=G(1,1) " COM(2)=G(2,1) " COM(3)=G(3,1) " COM(4)=H(1,1) " COM(5)=H(2,1)
3. INFN routine.
A. Using ADVAN with NONMEM VIb.
If you are using ADVAN routines in your model, then an $INFN section should be placed directly after the $PK section using the following code. In this example we are assuming that the model file is named something like '1.ctl'. NOTE: Files 51, 53, 55 and 57 are not used in the CWRES calculation and can be removed from the NONMEM model file if problems arise due to failure of the $COV step in a NONMEM run.
$INFN IF (ICALL.EQ.3) THEN OPEN(50,FILE='cwtab1.est') WRITE(50,*) 'ETAS' DO WHILE(DATA) IF (NEWIND.LE.1) WRITE (50,*) ETA ENDDO WRITE(50,*) 'THETAS' WRITE(50,*) THETA WRITE(50,*) 'OMEGAS' WRITE(50,*) OMEGA(BLOCK) WRITE(50,*) 'SIGMAS' WRITE(50,*) SIGMA(BLOCK) ENDIFB. Using ADVAN with NONMEM V.
If you are using ADVAN routines in your model, then you need to use an INFN subroutine. If we call the INFN subroutine 'myinfn.for' then the $SUBS line of your model file should include the INFN option. That is, if we are using ADVAN2 and TRANS2 in our model file then the $SUBS line would look like:
$SUB ADVAN2 TRANS2 INFN=myinfn.for
The 'myinfn.for' routine for 4 thetas, 3 etas and 1 epsilon is shown below. If your model has different numbers of thetas, etas and epsilons then the values of NTH, NETA, and NEPS, should be changed respectively. These vales are found in the DATA statement of the subroutine. Please note that the 4th and 5th lines of code should be one line with the '...' removed from each line, reading:
COMMON /ROCM6/ THETAF(40),OMEGAF(30,30),SIGMAF(30,30). NOTE: Files 51, 53, 55 and 57 are not used in the CWRES calculation and can be removed from the subroutine if problems arise due to failure of the $COV step in a NONMEM run.SUBROUTINE INFN(ICALL,THETA,DATREC,INDXS,NEWIND) DIMENSION THETA(*),DATREC(*),INDXS(*) DOUBLE PRECISION THETA COMMON /ROCM6/ ... ... THETAF(40),OMEGAF(30,30),SIGMAF(30,30) COMMON /ROCM7/ SETH(40),SEOM(30,30),SESIG(30,30) COMMON /ROCM8/ OBJECT COMMON /ROCM9/ IERE,IERC DOUBLE PRECISION THETAF, OMEGAF, SIGMAF DOUBLE PRECISION OBJECT REAL SETH,SEOM,SESIG DOUBLE PRECISION ETA(10) INTEGER J,I INTEGER IERE,IERC INTEGER MODE INTEGER NTH,NETA,NEPS DATA NTH,NETA,NEPS/4,3,1/ IF (ICALL.EQ.0) THEN C open files here, if necessary OPEN(50,FILE='cwtab1.est') ENDIF IF (ICALL.EQ.3) THEN MODE=0 CALL PASS(MODE) MODE=1 WRITE(50,*) 'ETAS' 20 CALL PASS(MODE) IF (MODE.EQ.0) GO TO 30 IF (NEWIND.NE.2) THEN CALL GETETA(ETA) WRITE (50,97) (ETA(I),I=1,NETA) ENDIF GO TO 20 30 CONTINUE WRITE (50,*) 'THETAS' WRITE (50,99) (THETAF(J),J=1,NTH) WRITE(50,*) 'OMEGAS' DO 7000 I=1,NETA 7000 WRITE (50,99) (OMEGAF(I,J),J=1,NETA) WRITE(50,*) 'SIGMAS' DO 7999 I=1,NEPS 7999 WRITE (50,99) (SIGMAF(I,J),J=1,NEPS) ENDIF 99 FORMAT (20E15.7) 98 FORMAT (2I8) 97 FORMAT (10E15.7) RETURN ENDC. Using $PRED with NONMEM VIb.
If you are using $PRED, then an the following code should be placed at the end of the $PRED section of the model file (together with the verbatim code). NOTE: Files 51, 53, 55 and 57 are not used in the CWRES calculation and can be removed from the NONMEM model file if problems arise due to failure of the $COV step in a NONMEM run.
IF (ICALL.EQ.3) THEN OPEN(50,FILE='cwtab1.est') WRITE(50,*) 'ETAS' DO WHILE(DATA) IF (NEWIND.LE.1) WRITE (50,*) ETA ENDDO WRITE(50,*) 'THETAS' WRITE(50,*) THETA WRITE(50,*) 'OMEGAS' WRITE(50,*) OMEGA(BLOCK) WRITE(50,*) 'SIGMAS' WRITE(50,*) SIGMA(BLOCK) ENDIFD. Using $PRED with NONMEM V.
If you are using $PRED with NONMEM V, then you need to add verbatim code immediately after the $PRED command. In this example we assume 4 thetas, 3 etas and 1 epsilon. If your model has different numbers of thetas, etas and epsilons then the values of NTH, NETA, and NEPS, should be changed respectively. These vales are found in the DATA statement below. Please note that the 3rd and 4th lines of code should be one line with the '...' removed from each line. NOTE: Files 51, 53, 55 and 57 are not used in the CWRES calculation and can be removed from the NONMEM model file if problems arise due to failure of the $COV step in a NONMEM run.
$PRED "FIRST " COMMON /ROCM6/ ... ...THETAF(40),OMEGAF(30,30),SIGMAF(30,30) " COMMON /ROCM7/ SETH(40),SEOM(30,30),SESIG(30,30) " COMMON /ROCM8/ OBJECT " DOUBLE PRECISION THETAF, OMEGAF, SIGMAF " DOUBLE PRECISION OBJECT " REAL SETH,SEOM,SESIG " INTEGER J,I " INTEGER MODE " INTEGER NTH,NETA,NEPS " DATA NTH,NETA,NEPS/4,3,1/
After this verbatim code you add all of the abbreviated code needed for the $PRED routine in your model file. After the abbreviated code more verbatim code is needed. This verbatim code should be added before the verbatim code discussed above under point 2.
" IF (ICALL.EQ.0) THEN "C open files here, if necessary " OPEN(50,FILE='cwtab1.est') " ENDIF " IF (ICALL.EQ.3) THEN " MODE=0 " CALL PASS(MODE) " MODE=1 " WRITE(50,*) 'ETAS' " 20 CALL PASS(MODE) " IF (MODE.EQ.0) GO TO 30 " IF (NEWIND.NE.2) THEN " CALL GETETA(ETA) " WRITE (50,97) (ETA(I),I=1,NETA) " ENDIF " GO TO 20 " 30 CONTINUE " WRITE (50,*) 'THETAS' " WRITE (50,99) (THETAF(J),J=1,NTH) " WRITE (50,*) 'OMEGAS' " DO 7000 I=1,NETA " 7000 WRITE (50,99) (OMEGAF(I,J),J=1,NETA) " WRITE (50,*) 'SIGMAS' " DO 7999 I=1,NEPS " 7999 WRITE (50,99) (SIGMAF(I,J),J=1,NEPS) " ENDIF " 99 FORMAT (20E15.7) " 98 FORMAT (2I8) " 97 FORMAT (10E15.7)
4. cwtab*.deriv table file.
A special table file needs to be created to print out the values contained in the
COMRESvariables. In addition theID, IPRED, MDV, DV, PRED and RESdata items are needed for the computation of the CWRES. The following code should be added to the NONMEM model file. In this example we continue to assume that we are using a model with three ETA() terms and two EPS() terms, extra terms should be added for new ETA() and EPS() terms in the model file.$TABLE ID COM(1)=G11 COM(2)=G21 COM(3)=G31 COM(4)=H11 COM(5)=H21 IPRED MDV NOPRINT ONEHEADER FILE=cwtab1.deriv5. $ESTIMATION.
To compute the CWRES, the NONMEM model file must use (at least) the FO method with the
POSTHOCstep. If the FO method is used and thePOSTHOCstep is not included then the CWRES values will be equivalent to the WRES. The CWRES calculations are based on the FOCE approximation, and consequently give an idea of the ability of the FOCE method to fit the model to the data. If you are using another method of parameter estimation (e.g. FOCE with interaction), the CWRES will not be calculated based on the same model linearization procedure.
Author(s)
Andrew Hooker
References
Hooker A, Staatz CE, Karlsson MO. Conditional weighted residuals, an improved model diagnostic for the FO/FOCE methods. PAGE 15 (2006) Abstr 1001 [http://www.page-meeting.org/?abstract=1001].
See Also
-
compute.cwres
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
Embedding an R snippet on your website
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.