AQSysDOE: AQSysDOE
In LLSR: Data Analysis of Liquid-Liquid Systems using R

The function uses a ATPS characterization data to build a Design Of Experiments (DOE) matrix based on Tie-Line Length (TLL) and Volume Ratio. see AQSysEval for more details.

AQSysDOE(
  dataSET,
  db = LLSR::llsr_data,
  slope = NULL,
  xmax = 100,
  modelName = "merchuk",
  nTL = 3,
  nPoints = 3,
  tol = 1e-05
)

`dataSET`	- Binodal Experimental data that will be used in the nonlinear fit.
`db`	A highly structure db containing data from previously analyzed data. LLSR database is used by default but user may input his own db if formatted properly.
`slope`	The method assumes all tielines for a given ATPS are parallel, thus only one slope is required. [type:double]
`xmax`	Maximum value for the Horizontal axis' value (bottom-rich component). [type:double]
`modelName`	Character String specifying the nonlinear empirical equation to fit data. The default method uses Merchuk's equation. Other mathematical descriptors can be listed using AQSysList(). [type:string]
`nTL`	Number of tielines plotted for a given ATPS. Default is 3. [type:Integer]
`nPoints`	Number of points chosen for a given tieline. Default is 3. [type:Integer]
`tol`	limit of tolerance to reach to assume convergence. Default is 1e-5. [type:Integer]

# dataSET is a data.frame which contains series of Tieline's mass fraction
# and information
# from both components and #' # extraction conditions (T, pH). The function
# perform a system
# characterizaion based on data stored in LLSR's database
# (or provided by the user) 
# and then calculate a DOE based on the input.
## Not run: 
dataSET <- AQSearch.Binodal(db.uid='56b53a50f500c502fa4a65d197fc6d84')
ans <- AQSysDOE(dataSET2, nTL = 5, nPoints = 5)
View(ans$DOE)

## End(Not run)