$SCATTERPLOT

Requests that NONMEM generate one or more scatterplots.

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 $SCATTERPLOT  list1 VS list2 [BY list3]
               [FROM n1] [TO n2] [UNIT]
               [ORD0|NOORD0] [ABS0|NOABS0] [FIRSTONLY] [OBSONLY]
               [NOSUB=[0|1]]
               [UNCONDITIONAL|CONDITIONAL] [OMITTED]

;# Example
 $SCATTERPLOT      (RES WRES) VS TIME BY ID

Discussion

Requests that families of NONMEM scatterplots be produced. Up to 20 families of scatterplots may be included in the problem. May also be coded $SCATTERS or $SCATTERGRAMS.

Options

list1

A list of item labels to be plotted on the ordinate axis (the long axis on the printed output). The list may be enclosed in parentheses. It may include:

Data item labels.

Special items PRED, RES, and WRES.

The user may request the following additional diagnostic items by including their name in the list.

  • NPRED, NRES, NWRES: Calculated assuming non-conditional estimation and no ETA-EPSILON interaction. NPRED and NRES are same as PRED and RES. NWRES is same as WRES when INTERACTION is not set in $EST.
  • PREDI, RESI, WRES: Calculated assuming non-conditional estimation with ETA-EPSILON interaction. Always same as PRED, RES, and WRES.
  • CPRED, CRES, CWRES: Calculated assuming conditional estimation and no ETA-EPSILON interaction.
  • CPREDI, CRESI, CWRESI: Calculated assuming conditional estimation with ETA-EPSILON interaction.
  • CIPRED, CIRES,CIWRES: Conditional individual values
  • CIPREDI, CIRESI,CIWRESI: Conditional individual values with ETA-EPSILON interaction.
  • EPRED, ERES, EWRES: Monte-Carlo generated diagnostics and are not linearized approximations like the other diagnostic types. EWRES is the Monte-Carlo version of CWRESI.
  • ECWRES: Monte-Carlo version of CWRES.
  • NPDE: Monte-Carlo generated normalized probability distribution error.
  • NPD: the correlated (or non-decorrelated) NPDE value.
  • OBJI: Objective function values for each individual (same as given in the root.phi file). The sum of the individual objective function values is equal to the total objective function.

Labels ETA(1), ETA(2), … ,ETA(10), … , ETA(70), etc., or alternatively, labels ETA1, ETA2, … ,ET10, … , ET70, etc., corresponding to eta(1), eta(2), etc. The labels in the output will be ETA1, ETA2, … , ET10, … ET70, etc.

In NONMEM v7.3+, a range of ETAs may be requested:

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  $SCAT ETAS(1:2) VS ETA3

is equivalent to

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  $SCAT ETA1 ETA2 VS ETA3

However, unlike $TABLE, $SCAT will ignore implied endings such as

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  $SCAT ETAS(1:LAST) VS ETA3

as

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  $SCAT ETA1 VS ETA3

In NONMEM v7.4+, more flexible syntax is available, using TO and BY (See $TABLE). Also a symbolic label specified in $ABBR REPLACE may be listed in $SCAT. For example:

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  $ABBR REPLACE ETA(CL)=ETA(1)
   ...
  $SCAT  ETA(CL) VS ETA3

Reserved positions of MODULE NMPRD4 (see $ABBREV). COM(k) or :k denotes the kth reserved position. (There must be exactly 4 digits after ":". Use leading 0's as necessary.) E.g., COM(3) or :003. Labels of the form :k will be used in the output.

Labels of PRED-defined items in MODULE NMPRD4 if abbreviated code is present (up to PDT distinct such labels in any one problem, for all tables and scatterplots. PDT is a constant in resource/SIZES.f90; default value is 500.) These may include labels of the NM-TRAN- defined items:

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   0nnn     e.g., 0010   ;# stands for A00nnn
   1nnn     e.g., 1010   ;# stands for A01nnn
   2nnn     e.g., 2010   ;# stands for C00nnn
   3nnn     e.g., 3010   ;# stands for D00nnn
   4nnn     e.g., 4010   ;# stands for E00nnn
   5nnn     e.g., 5010   ;# stands for F00nnn
   6nnn     e.g., 6010   ;# stands for P00nnn

These may also include: labels VECTRA(1), VECTRA(2), … ,VECTRA(9), or alternatively, labels VA_1, VA_2, … ,VA_9, corresponding to VECTRA(1), VECTRA(2), …, VECTRA(9). The labels in the output will be VA_1, VA_2, … , VA_9. Similarly, for VECTRB and VECTRC.

Synonyms may be defined on either the $TABLE or $SCATTER record for special items PRED, RES, WRES; for PRED-defined items; for NM-TRAN-defined items; and for reserved positions of MODULE NMPRD4. For example, assume that IWRES is a PRED-defined label, that at least 3 posi- tions of NMPRD4 are reserved, and that NM-TRAN has generated A00032 as the label for a derivative in the generated FSUBS routine. Either $TABLE or $SCATTER records may include:

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  WRES=RES1,IWRES=RES2,COM(3)=ABC,0032=DK.

For a discussion of the values of ETAs and PRED-defined items (e.g., are they based on initial or final values of theta? Simulated or zero or conditional values of eta?), see values.

Elements of G and H

Example:

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$SCATTER G11 BY G21

The format is Gk1 or Hk1, where k is an integer value, e.g. 1-9 or 01-99 or 001-999. Gk1 requests the value of G(k,1), and Hk1 requests the value of H(k,1), where G and H are arguments of subroutine PRED. G(k,1) is the partial of F (the prediction) with respect to ETA(1), and H(k,1) is the partial of F with respect to EPS(1). (HH may be coded instead of H, but it is treated as if it were H.) A variable of the form Gk1 or Hk1 is not a reserved variable. If it is previously defined (i.e., if it is listed in $INPUT, or used on the left in abbreviated code, or used as a synonym e.g., $TABLE G11=COM(1)), then that definition of the variable is used, and there is no change from previous versions of NM-TRAN. Only if there is no other previous definition of the variable will it be understood to be an element of G or

What NM-TRAN actually displays is the variable in MODULE NMPRD4 that was used to compute the derivative of interest (a variable in the series A00nnn, C00nn, or D00nnn) with the appropriate synonym such as G11. If there is no such variable, this is an error. NMTRAN will not display variables that are not computed , e.g., G41 when there are only 3 ETAs in the problem, or when there are 4 ETAs but ETA(4) does not contribute to the value of Y. [There is a workaround if the zero is wanted as a place holder in the table. In abbreviated code ($ERROR or $PRED or $PK) G41=0 .

(See output PRED-Defined Items).

list2

Like list1, but includes the labels of items to be plotted on the abscissa axis (the short axis on the printed output). The list may be enclosed in parentheses. The word "VS" is optional; it may be omitted if the lists are enclosed in parenthesis, or if each list consists of exactly one item label. VS may also be coded *. Each pair of labels, one from list1 and one from list2, defines a family of scatterplots.

list3

A list of one or two item labels or synonyms. Each pair of labels from list1 and list2 produces a family of scatterplots, one scatterplot for each unique value (or combination of values) of the data item(s) in list3. If the BY option is omitted, each pair of labels from list1 and list2 produces a family comprised of a single scatterplot.

UNIT

A line of unit slope is superimposed on the scatterplots.

ORD0

A line through the zero value on the ordinate axis is superimposed on the scatterplots. May also be coded ORDZERO.

NOORD0

Prevents a zero line from being superimposed on the ordinate axis of the scatterplots. May also be coded NOORDZERO. If neither ORD0 nor NOORD0 is present, NONMEM automatically superimposes a zero line on the ordinate axis if it is appropriate for the type of data item.

ABS0

A zero line is superimposed on the abscissa axis of the scatterplots. May also be coded ABSZERO, AB0, or ABZERO.

NOABS0

Prevents a zero line from being superimposed on the abscissa axis of the scatterplots. May also be coded NOABSZERO, NOABS0, NOABZERO, NOAB0. If neither of ABS0 and NOABS0 is present, NONMEM automatically superimposes a zero line on the abscissa axis if it is appropriate for the type of data item.

FIRSTONLY

Only the first data record from each individual record may contribute a point to the scatterplot. May also be coded FIRSTRECORDONLY or FIRSTRECONLY.

OBSONLY

The scatterplot will only use data records with MDV=0. This option applies independently of FIRSTONLY. It is not necessary when either DV, RES, or WRES is plotted.

FROM n1

n1 is the number of the first data record which may "contribute" to the scatterplot. Default: n1 is 1.

TO n2

n2 is the number of the last data record which may "contribute" to the scatterplot. Default: There is no upper limit. All appropriate records will contribute. To restore the NONMEM VI behavior, use TO n1+899.

With FIRSTONLY, n1 and n2 refer to (first records of) individual records. The remaining options apply to all $SCATTERPLOT records.

NOSUB=[0|1]

With NOSUB=0, label substitution will be performed scatterpots. (See $ABBREVIATED). This is the default. With NOSUB=1, label substitution will not be performed.

CONDITIONAL | UNCONDITIONAL

CONDITIONAL: the Scatterplot Step is implemented only when the Estimation Step terminates successfully or is not implemented. This is the default.

UNCONDITIONAL: the Scatterplot Step is always implemented. This is the default.

OMITTED

The Scatterplot Step is not implemented.

When DV, RES, or WRES is plotted, records having MDV=1 are not plotted.

The following symbols are used in scatterplots:

* 1 point
Overstriking:
2-9 2-9 points
A-Z 10-35 points (A=10, B=11, … , Z=35)
$ more than 35 points