• Vignettes are no longer included in R package and can only be read online at https://philipdelff.github.io/NMdata/ They are still being maintained, and the exclusion from the package releases is only due to CRAN’s restrictive requirements to the package size.

• New function, NMscanMultiple, to read multiple models and stack results in one data set. This is very useful for meta analysis. NMscanMultiple is a wrapper of NMscanData. It keeps track of warnings and errors for reading of individual models rather than getting stuck. You can either specify a vector of model paths or a directory plus a regular expression (just like for NMwriteSection).

• Improved tests of order of age of output control streams and input data in NMscanData. So far, all data were tested on file modification times which is not useful in the common case that data files and/or nonmem control streams are moved around between systems. Now NMscanData can look for a time stamp in the output control stream and if NMwriteData was use to write the input data to file, the creation time is taken from meta data. This will make the warnings about the order of age of files more reliable. Notice however, that for the output control stream, the timezone has to be set using the tz.lst argument or using NMdataConf - at least for now.

• Checks of unique subject identifier (usubjid) included in NMcheckData. This is mostly to detect the potential issue that the subject IDs generated for analysis are not unique across actual subjects. If a usubjid (e.g. from clinical data sets) is included in data, NMcheckData can check this for basic properties and check the analysis subject ID and the usubjid against each other.

• New function: cl - creates factors, ordered by the appearance of the elements when created. cl(“b”,“a”) results in a factor with levels “b” and “a”. This can save quite some typing in data set preparation.

• New function: fnAppend - append a string to a file name before the file name extension. fnAppend(“data.csv”,“subset”) results in “data_subset.csv”.

• General support for a file.data argument when a specific input data file is to be used instead of finding this information in the control streams. This is very useful if you archive input data together with a nonmem run in a way that the path in the control stream has to be overruled. Like many other of this type of arguments in NMdata, it can be a function that systematically converts the path to the control stream to the input data archive. Running Nonmem this way breaks the link between an input dataset that may change over time and the model runs that become self-contained packages of input and output data.

• Support for NOHEADER option in Nonmem $TABLE blocks. If NMdata is used to read the results, there is no need to use NOHEADER (which opens the door to mistakes if manually renaming the columns in results), but NMdata should now also be able to handle this. • If found in data, CMT is added to the breakdown of rows when summarizing results from NMscanData. Before, it was broken down on EVID only. Also, a total line is included with total number of rows in each of input-only, output, and result. • Support for non-event (say for$PRED) datasets in NMcheckData.

• Support for custom column names for DV (col.dv) and MDV (col.mdv), ID (col.ID), AMT (col.amt) in NMcheckData.

• Support for file.mod and dir.data arguments in NMcheckData when running on a control stream.

• NMgenText now has an argument called until that specifies the last column(s) to include in $INPUT. • compareCols takes the list.data argument same way as dims() does. This is often easier to use in programming. • If NMgenText does not find any Nonmem-compatible columns to report, it now throws a warning and returns NULL. ### Bugfixes • NMextractDataFile was not cleaning all paths correctly. This mostly impacts NMcheckData’s ability to find data files when using the file argument in NMcheckData. Only affects certain models. • NMextractDataFile was not working with dir.data. Fixed. • NMextractDataFile Now handles absolute paths correctly. ### Minor changes • compareCols now by default lists the columns where no differences were found. • NMreadTab throws a message instead of a warning in case duplicate column names are found and removed. • NMwriteData now runs NMgenText in try, just in case. • fnExtension now supports adding extensions to strings without extensions, i.e. fnExtension(“file”,“.txt”). • The cols.num argument in NMcheckData has been improved to support a list specifying columns that are numeric within subsets of data. This is often useful for columns that are only meaningful for say samples (eg LLOQ) or doses (eg injection site). • When run on a control stream, NMcheckData now checks all columns specified in the control stream to be numeric. • The NMcheckData argument, col.cmt now supports a vector of length>1. This is helpful to support data where switching CMT column is used to switch between definitions for different compounds or even just models where compartment numbers are not compatible. • NMscanInput has the new argument recover.cols. Default is TRUE - use FALSE to not include columns that NONMEM did not read. • mergeCheck now retains column order from x. It has a few other improvements too, like checking for missing values in by columns. • listMissings is new function that looks for missing values or strings that represent missing values (like “” or “.”) in multiple columns. This can be useful when combining source data sets. However, the function is still underdevelopment and what exactly is being reported may change in future releases. ### Bugfixes • NMwriteData now respects NMdataConf()$args.fwrite
• flagsCount was not respecting by columns. Fixed.
• egdt was reporting one column too many in inputs (in terminal, not in results). Fixed.
• Column names in control stream $INPUT statements weren’t adjusted for possible tabulator characters. Fixed. ### New functions • NMcheckData is a new function that checks data for Nonmem compatibility in numerous ways. It returns a list of all findings making it easy to identify the location of each issue in the data. See the man page of NMcheckData for a complete list of the checks that are done. The function does not modify data in any way, and it is a very simple and easy step to avoid many problems in Nonmem. NMcheckData can check a data object in R, and it can also check how a control stream reads data and then do all the checks. The latter provides an extensive check of potential issues related to data and getting it into NONMEM. Great for both debugging and QC. • NMextractDataFile is a function that identifies the input datafile used by a Nonmem model. It reports the string as in the Nonmem control stream, file path and whether the file exists. It also looks for the corresponding rds files. The function is not new in NMdata but was not exported until 0.0.10. • cc is a function that creates character vectors from arguments without quotes. This is just to be able to skip typing quotes when listing say column names. So do cc(a,b,c) to get the exact same as c(“a”,“b”,“c”). You cannot do this with strings that contain special characters. In that case do cc(a,“b+c”) to get the same as c(“a”,“b+c”). ### Function improvements • NMwriteSection has been updated with a few very useful features. Namely these are related to updating multiple nonmem files at once. The user can now supply multiple paths, regular expressions for finding files (like pattern in list.files) and even input data files for nonmem models to match. This is very useful when updating many models after modifying input data. You can specify say all models in a directory names like pd.mod where is anything (in regular expressions this would be “pd.+\.mod”) and only the using the data file that was just written. Since NMwriteData generates the$INPUT for you, you just need to add one line to get the update of all your models automatically.

• flagsAssign has got a few updates related to separate handling of different types of events. Often, this will be used to assign flags to observations, doses etc. separately. You can easily specify a subset of data to run flagsAssign on, and it will by default check for whether values of EVID are unique. This is similar to what flagsCount does.

• NMgenText is a new function that provides the generation of $INPUT and$DATA. This used to be part of NMwriteData. NMwriteData still calls NMgenText but the separation of the two functionalities allows for more intuitive separate uses of one dataset for different models.

• NMcompareCols now takes the argument “cols.wanted” which is a character vector of column names of special interest. Helpful when building a data set with specific column names in mind.

• egdt now reports dimensions of the two data sets to combine and the resulting data. Can be disabled with quiet argument.

• NMcheckColumns Change of column name from DATA to INPUT in order to match $INPUT in the control streams. • NMreadSection is now case insensitive in the section specification (i.e. “input” is the same as “INPUT”). ### Bugfixes • In NMwriteData the datafile is now correctly included in the$DATA suggestion for Nonmem. No impact on data file output.

• Bugfix in NMscanData related to searching for candidates for unique row identifiers.

• In compareCols multiple classes of single columns would give a warning and sometimes confusing overview of columns. Fixed.

• findCovs fixed in ordering output when by argument is of length > 1

The only change from 0.0.8 is a patch provided by Matt Dowle ensuring that tests pass after the release of data.table v1.14.2.

• Meta data system rewritten. NMinfo and NMstamp are used to read and write meta data. Meta data is stored as an attribute to the data object (attributes(data)$NMdata). • Translation table includes a column ranking the match between input data file contents and$INPUT. OK: names match, diff: names do not match, off: diff and name is found elsewhere.

• NMscanInput, NMaplyFilters, NMtransInp all return meta data compatibly with NMinfo.

• merge.by.row=“ifAvailable”

• Check for new values of row identifier

• Check for disjoint ID’s when ID-level output tables found

• Improved message from NMscanData

• Support for custom (and NULL) values of col.model and col.nmout

• Support for Nonmem filters without operators (COL XX)

NMreadCsv, NMscanInput, and NMscanData take argument args.fread. The contents of this list are passed as arguments to fread when reading csv files. This should only be needed in rare cases but offers full flexibility to match structure of csv files. Default contents of args.fread can be controlled using NMdataConf.

NMwriteData updated with more concise message.

NMreadSection now returns all sections if argument section is missing or equals NULL or “.”.

NMinfo is a new function that provides meta data, processed by as.fun.

If merge.by.row=TRUE, NMscanData now checks if col.row seems to be changed in the Nonmem code. If that is the case, an error is returned.

save argument added to flagsCount function to align with other functions.

NMwriteData now writes meta data to a txt file when writing csv file. NMreadCsv looks for this info and attaches it if found.

NMwriteData takes the argument args.fwrite - a list of arguments passed to fwrite. This is aligned with args.fread used by NMreadCsv. Defaults can be configured using NMdataConf.

Improved and shortened text to console from NMscanData (print.summary_NMdata).

mergeCheck will now throw an explained error if argument df1 has zero rows.

### Bugfixes

• In the special case where only one data set is given, compareCols used to sort the list of columns in an irrelevant way. Now no reordering is done but the list will match the column order in the data set.
• In the NMdata summary, the number of columns from input data are now calculated correctly.

compareCols generalized to the single data set case.

mergeCheck has improved warnings when checks fail. This should in most cases provide information for the user to get a good idea what needs to be resolved for the merge to work as expected.

Support for pseudonyms when translating input data column names based on nonmem control stream. Now by default, the column will be returned (doubled) with both pseudonyms as column names.

new function - fnExtension is a simple function to replace the extension of a file name (say from file.mod to file.lst)

new function - dims is a simple function that returns a table of the dimensions of multiple data sets. It is used by multiple other functions in the package and may be useful on its own. However, compareCols reports this information too (by calling dims).

NMscanData now has an argument, translate.input, which can be used to skip the translation of column names according to $DATA in the listing file. This can be necessary if input data has changed and hence$DATA is outdated since last model run.

flagsCount now reports cumulative counts of discards too.

### Bugfixes

• Correct ordering of rows in compareCols
• flagsCount now reports numbers of discarded subjects as intended.

This is a major upgrade from 0.0.6.6 featuring many improvements and bug fixes. Everyone is strongly encouraged to upgrade.

The choice between data combination methods in NMscanData is now done in one argument, called merge.by.row. Before the method was decided based on values of two arguments, cbind.by.filters and col.row. A default value for col.row can now be set using NMdataConf and will not affect the data combination method.

Other arguments which default values can now be modified using NMdataConf are: merge.by.row, col.flagn, col.flagc, use.input, recover.rows, col.model, modelname, file.mod, and check.time, quiet, use.rds.

The tools to assign and count exclusion flags, flagsAssign and flagsCount, have been improved. They now support working on a subset of data (say samples only), and the order (increasing/decreasing) of the exclusion flags is optional. The printing of the count of exclusion flags has been improved.

NMgetSection and NMwriteSection are new functions that can be used to extract sections from and write sections to Nonmem control streams. NMwriteData now returns a list of sections that can be passed directly to NMwriteSection, in order to update control streams to read the updated data file correctly.

compareCols is a very useful new data creation tool. See the difference between presence and classes of columns in data sets. This is useful before rbind’ing or merging - or maybe when those throw an error, and you want to figure out why.

renameByContents is a function that can rename columns which contents match a given criterion. In combination with the provided NMisNumeric, this can be used to rename (say to lowercase) columns that Nonmem cannot interpret (as numeric).

mergeCheck now informs about common column names that are not used to merge by. These will create new column names, and it’s often not intended. An argument has been added (ncols.expected) to check the number of columns added to df1 against expectation.

egdt is a new function for expanding grids of data.tables. This is quite technical, and it fills a whole when constructing data with data.tables. It mimics the behavior of merge.data.frame on objects with no common columns.

• Class of return from NMorderData.
• NA values in NMisNumeric. This bug would spill over to NMOrderColumns.
• Processing rds files including non-data.table objects.
• Single-character data filters in Nonmem (say IGNORE=C)

Central configuration mechanism implemented. The configuration function to use is NMdataConf. You can configure several options, corresponding to default values of arguments to different functions in the package. This is very useful if you want to change the directory and file naming structure, or if you want to change default column names.

The exclusion flag functions flagsAssign and flagsCount have been generalized to use customizable column names for the numerical and character flags. The default can be configured using NMdataConf.

If all common column names two data objects to merge are not used for merging (by), new column names are created by merge. The behavior of mergeCheck can now be controlled in case this happens. This is especially useful when using mergeCheck in programming.

A shortcut to system.file(…,package=“NMdata”) has been removed. The function was called NMdata_filepath and is no longer available. Use system.file instead.

A summary function is provided for NMdata objects. There is a print function for the summary too. This is printed automatically by NMdata unless quiet=TRUE.

A lot of meta information has been added in an attribute to NMdata objects. This will help the user to understand and automatically document what has been read.

The argument to NMscanData previously called name has been renamed to modelname and generalized to take a function that derives the name from the file path. Also an general option “NMdata.modelname” has been added, so the default behavior can be configured.

The default class to generate is now data.frame rather than data.table. If you want to work with data.tables, do options(NMdata.as.fun=“none”)

General support for conversion of output to user-specified class. Setting the option “NMdata.as.fun” to a conversion function such as as.data.frame or tibble::as_tibble it is possible for the user to work with their preferred data class. An argument, as.fun, can be used for the individual functions too.

The translation from the output control stream file path (.lst in PSN) and the input control stream (.mod in PSN) can now be configured through the option “NM.file.mod”. Typically, all the models to be considered in an analysis have been run on the same system, so it makes most sense to define this behavior once and for all for most users.

NMwriteData improved with checks of column names and automated generation of $INPUT and$DATA Nonmem sections.

NMorderColumns simplified, and documentation improved.

Documentation has been upgraded with a pkgdown site.

New vignette on data set creation tools in NMdata.

New FAQ vignette.

### Bugfixes

NMtransInput now supports the case where additional unused column names are given in $INPUT than actually found in$DATA. A warning will be given.

This release introduces a consistent default NMscanData behavior that will work in most cases and provide the user with information on how to use a more robust approach to merging input and output data.

Naming of a few arguments to NMscanData has been changed from camelCase to lower.case for consistency.

NMscanTables keeps track of LASTONLY and FIRSTLASTONLY. LASTONLY are now treated like FIRSTONLY while FIRSTLASTONLY tables are disregarded (with a warning).

The most obvious change since 0.0.3 is that only one data.table is being returned from NMscanData. This is what used to be the row element in the returned objects previously. The main reason for this change is that it makes it easier for users to post-process only one dataset before splitting into different levels of variability. The small cost is that the user will have to run findCovs, or findVars to get the desired level of variability. These functions are however very simple to use and very fast to run.

This release features numerous improvements to especially the NMscanData function. The work is mainly focused around use without a row identifier. Even without a row identifier, NMscanData should now work for the vast majority of models, including merging with input and recovering rows.

An attribute called vars has been added to the NMdata objects coming out of NMscanData. It features a table of the columns in the returned object and information about where they originate from. More work is still to be done on this, but hopefully it is useful already.

NMwriteData: Added support for passing arguments to saveRDS.

Last but far from least is a new vignette on using NMscanData. Check it out with vignette(“NMscanData”).

This release contains bugfixes and experimental support for merging nonmem input and output data without a row identifier.

A clearer cut has been made between the pmxtricks package (version 0.0.10) and NMdata. The packages should not overlap in exported functionality, and they do not depend on each other.