\input{settings.sty}
\usepackage{Sweave}

 
\begin{document}
\vspace*{2cm}
\begin{center}
\vspace{1.5cm}
{\Large Data Assembly}\\
~\\
\today\\
~\\
Tim Bergsma\\
\end{center}
\newpage

This script assembles simulated phase 1 data.

Make sure you are in the script directory, where this files resides.
\begin{Schunk}
\begin{Sinput}
> getwd()
\end{Sinput}
\begin{Soutput}
[1] "/home/timb/metrumrg/inst/sample/script"
\end{Soutput}
\end{Schunk}
Load the metrumrg package.
\begin{Schunk}
\begin{Sinput}
> library(metrumrg)
\end{Sinput}
\begin{Soutput}
metrumrg 5.0 
\end{Soutput}
\end{Schunk}
Groom the dose data
\begin{Schunk}
\begin{Sinput}
> dose <- read.csv('../data/source/dose.csv',na.strings='.',stringsAsFactors=FALSE)
> head(dose)
\end{Sinput}
\begin{Soutput}
  SUBJ   AMT HOUR
1    1 1e+03    0
2    2 5e+03    0
3    3 1e+04    0
4    4 5e+04    0
5    5 1e+05    0
6    6 1e+03    0
\end{Soutput}
\begin{Sinput}
> dose <- as.keyed(dose, key=c('SUBJ','HOUR'))
> summary(dose)
\end{Sinput}
\begin{Soutput}
SUBJ~HOUR
0 NA keys
0 duplicate keys
\end{Soutput}
\end{Schunk}
Looks okay.

Groom the demographic data.
\begin{Schunk}
\begin{Sinput}
> dem  <- read.csv('../data/source/dem.csv',na.strings='.',stringsAsFactors=FALSE)
> head(dem)
\end{Sinput}
\begin{Soutput}
  SUBJ HEIGHT WEIGHT SEX  AGE  DOSE FED SMK DS  CRCN
1    1    174   74.2   0 29.1 1e+03   1   0  0  83.5
2    2    177   80.3   0 36.8 5e+03   1   0  0 142.0
3    3    180   94.2   0 46.4 1e+04   1   0  0 121.0
4    4    177   85.2   0 30.3 5e+04   1   0  0 127.0
5    5    166   82.8   0 32.5 1e+05   1   0  0  97.2
6    6    164   63.9   0 18.8 1e+03   1   0  0 138.0
\end{Soutput}
\begin{Sinput}
> dem <- as.keyed(dem, key='SUBJ')
> summary(dem)
\end{Sinput}
\begin{Soutput}
SUBJ
0 NA keys
0 duplicate keys
\end{Soutput}
\end{Schunk}
Looks okay.  Note that DOSE is a treatment group, not an actual dose.

Groom the pk data.
\begin{Schunk}
\begin{Sinput}
> pk   <- read.csv('../data/source/pk.csv',na.strings='.',stringsAsFactors=FALSE)
> head(pk)
\end{Sinput}
\begin{Soutput}
  SUBJ HOUR    DV
1    1 0.00 0.000
2    1 0.25 0.363
3    1 0.50 0.914
4    1 1.00 1.120
5    1 2.00 2.280
6    1 3.00 1.630
\end{Soutput}
\begin{Sinput}
> pk <- as.keyed(pk, key=c('SUBJ','HOUR'))
> head(pk)
\end{Sinput}
\begin{Soutput}
  SUBJ HOUR    DV
1    1 0.00 0.000
2    1 0.25 0.363
3    1 0.50 0.914
4    1 1.00 1.120
5    1 2.00 2.280
6    1 3.00 1.630
\end{Soutput}
\begin{Sinput}
> summary(pk)
\end{Sinput}
\begin{Soutput}
SUBJ~HOUR
1 NA keys
2 duplicate keys
unsorted
\end{Soutput}
\begin{Sinput}
> pk[naKeys(pk),]
\end{Sinput}
\begin{Soutput}
    SUBJ HOUR  DV
561   40   NA 100
\end{Soutput}
\begin{Sinput}
> pk[dupKeys(pk),]
\end{Sinput}
\begin{Soutput}
    SUBJ HOUR   DV
560   40   72 35.5
562   40   72   NA
\end{Soutput}
\begin{Sinput}
> bad <- pk[with(pk,is.na(HOUR) |is.na(DV)),]
> bad
\end{Sinput}
\begin{Soutput}
    SUBJ HOUR  DV
561   40   NA 100
562   40   72  NA
\end{Soutput}
\begin{Sinput}
> pk <- pk - bad
\end{Sinput}
\begin{Soutput}
dropping 2 of 562 rows matching on SUBJ, HOUR, DV
\end{Soutput}
\begin{Sinput}
> summary(pk)
\end{Sinput}
\begin{Soutput}
SUBJ~HOUR
0 NA keys
0 duplicate keys
\end{Soutput}
\end{Schunk}
Looks okay.  

Combine these data sources into an NMTRAN-style data set.
The function `aug' adds columns on-the-fly.
The function `as.nm' sets up a chain reaction that makes sure the
final result has properties of an NMTRAN data set as described in ?nm.

Every source must specify DATETIME or HOUR.  All of ours specify HOUR.
If HOUR is the same for two records, we want, e.g., pk samples to sort 
before dose records (assumed predose).  SEQ controls the sort order 
when times and subject identifiers match.

The plus operator means ``outer join'' or ``full merge'' when the arguments are ``keyed'' data.frames.
The pipe operator means ``left join'' (merge, all.x=TRUE) when the arguments are ``keyed'' data.frames.
\begin{Schunk}
\begin{Sinput}
> dat <- 
+ 	nm() + 
+ 	aug(dose,SEQ=1,EVID=1) + 
+ 	aug(pk,  SEQ=0,EVID=0) | 
+ 	dem
\end{Sinput}
\begin{Soutput}
outer join of 0 rows and 40 rows on SUBJ, SEQ, HOUR
outer join of 40 rows and 560 rows on SUBJ, SEQ, HOUR, EVID
left join of 600 rows and 40 rows on SUBJ
\end{Soutput}
\begin{Sinput}
> summary(dat)
\end{Sinput}
\begin{Soutput}
            value
rows          600
records       600
comments        0
subjects       40
longestCase    72
naKeys          0
dupKeys         0
badDv           0
falseDv         0
zeroDv         25
predoseDv      40
badAmt          0
falseAmt        0
zeroAmt         0
noPk            0
badII           0
\end{Soutput}
\end{Schunk}
Note predose/zero DV.
See ?zeroDv
We comment-out these records.
\begin{Schunk}
\begin{Sinput}
> dat <- hide(dat, where=predoseDv(dat), why='predose')
> summary(dat)
\end{Sinput}
\begin{Soutput}
            value
rows          600
records       560
comments       40
subjects       40
longestCase    72
naKeys          0
dupKeys         0
badDv           0
falseDv         0
zeroDv         10
predoseDv       0
badAmt          0
falseAmt        0
zeroAmt         0
noPk            0
badII           0
\end{Soutput}
\end{Schunk}
We still have some zero DV that are not predose.  We comment those as well.
\begin{Schunk}
\begin{Sinput}
> dat <- hide(dat, where=zeroDv(dat), why='zerodv')
> summary(dat)
\end{Sinput}
\begin{Soutput}
            value
rows          600
records       550
comments       50
subjects       40
longestCase    72
naKeys          0
dupKeys         0
badDv           0
falseDv         0
zeroDv          0
predoseDv       0
badAmt          0
falseAmt        0
zeroAmt         0
noPk            0
badII           0
\end{Soutput}
\begin{Sinput}
> head(dat)
\end{Sinput}
\begin{Soutput}
  C SUBJ TIME SEQ HOUR EVID ID  AMT TAFD  TAD LDOS    DV MDV HEIGHT WEIGHT SEX
1 C    1 0.00   0 0.00    0  1   NA 0.00   NA   NA 0.000   0    174   74.2   0
2 .    1 0.00   1 0.00    1  1 1000 0.00 0.00 1000    NA   1    174   74.2   0
3 .    1 0.25   0 0.25    0  1   NA 0.25 0.25 1000 0.363   0    174   74.2   0
4 .    1 0.50   0 0.50    0  1   NA 0.50 0.50 1000 0.914   0    174   74.2   0
5 .    1 1.00   0 1.00    0  1   NA 1.00 1.00 1000 1.120   0    174   74.2   0
6 .    1 2.00   0 2.00    0  1   NA 2.00 2.00 1000 2.280   0    174   74.2   0
   AGE DOSE FED SMK DS CRCN predose zerodv
1 29.1 1000   1   0  0 83.5       1      0
2 29.1 1000   1   0  0 83.5       0      0
3 29.1 1000   1   0  0 83.5       0      0
4 29.1 1000   1   0  0 83.5       0      0
5 29.1 1000   1   0  0 83.5       0      0
6 29.1 1000   1   0  0 83.5       0      0
\end{Soutput}
\end{Schunk}
We could rearrange columns for convenience and clarity.
\begin{Schunk}
\begin{Sinput}
> dat <- shuffle(dat,c('C','ID','TIME','SEQ','EVID','AMT','DV'))
> head(dat)
\end{Sinput}
\begin{Soutput}
  C ID TIME SEQ EVID  AMT    DV SUBJ HOUR TAFD  TAD LDOS MDV HEIGHT WEIGHT SEX
1 C  1 0.00   0    0   NA 0.000    1 0.00 0.00   NA   NA   0    174   74.2   0
2 .  1 0.00   1    1 1000    NA    1 0.00 0.00 0.00 1000   1    174   74.2   0
3 .  1 0.25   0    0   NA 0.363    1 0.25 0.25 0.25 1000   0    174   74.2   0
4 .  1 0.50   0    0   NA 0.914    1 0.50 0.50 0.50 1000   0    174   74.2   0
5 .  1 1.00   0    0   NA 1.120    1 1.00 1.00 1.00 1000   0    174   74.2   0
6 .  1 2.00   0    0   NA 2.280    1 2.00 2.00 2.00 1000   0    174   74.2   0
   AGE DOSE FED SMK DS CRCN predose zerodv
1 29.1 1000   1   0  0 83.5       1      0
2 29.1 1000   1   0  0 83.5       0      0
3 29.1 1000   1   0  0 83.5       0      0
4 29.1 1000   1   0  0 83.5       0      0
5 29.1 1000   1   0  0 83.5       0      0
6 29.1 1000   1   0  0 83.5       0      0
\end{Soutput}
\end{Schunk}
We create a file using write.nm to format NAs specially, etc.
\begin{Schunk}
\begin{Sinput}
> write.nm(dat,file='../data/derived/phase1.csv')
\end{Sinput}
\end{Schunk}
We create a summary of which columns were hidden for which reasons.
\begin{Schunk}
\begin{Sinput}
> summary(hidden(dat))
\end{Sinput}
\begin{Soutput}
       predose zerodv
total       40     10
unique      40     10
\end{Soutput}
\end{Schunk}
\end{document}





