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

Description Usage Arguments References Examples

The function perform a full ATPS characterization (parameters, tie-line boundaries and critical point), generating a brief report.

AQSysEval(
  dataSET,
  db = LLSR::llsr_data,
  xmax = NULL,
  ymax = NULL,
  NP = 100,
  slope = NULL,
  modelName = "merchuk",
  convrgnceLines = FALSE,
  nTL = 3,
  nPoints = 3,
  tol = 1e-04,
  xlbl = "",
  ylbl = "",
  seriesNames = NULL,
  save = FALSE,
  HR = FALSE,
  autoname = FALSE,
  wdir = NULL,
  silent = TRUE
)

`dataSET`	- Binodal Experimental data that will be used in the nonlinear fit. [type:data.frame]
`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.
`xmax`	Maximum value for the Horizontal axis' value (bottom-rich component). [type:double]
`ymax`	Maximum value for the vertical axis' value (bottom-rich component). [type:double]
`NP`	Number of points used to build the fitted curve. Default is 100. [type:Integer]
`slope`	The method assumes all tielines for a given ATPS are parallel, thus only one slope is required. [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]
`convrgnceLines`	Magnify Plot's text to be compatible with High Resolution size [type:Logical]
`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]
`xlbl`	Plot's Horizontal axis label. [type:String]
`ylbl`	Plot's Vertical axis label. [type:String]
`seriesNames`	Number of points used to build the fitted curve. Default is 100. [type:Integer]
`save`	Save the generated plot in the disk using path and filename provided by the user. Default is FALSE. [type:Logical]
`HR`	Magnify Plot's text to be compatible with High Resolution size [type:Logical]
`autoname`	Number of points used to build the fitted curve. Default is FALSE. [type:Logical]
`wdir`	The directory in which the plot file will be saved. [type:String]
`silent`	save plot file without actually showing it to the user. Default is FALSE. [type:Logical]

KAUL, A. The Phase Diagram. In: HATTI-KAUL, R. (Ed.). Aqueous Two-Phase Systems: Methods and Protocols: Humana Press, v.11, 2000. cap. 2, p.11-21. (Methods in Biotechnology). ISBN 978-0-89603-541-6. (SpringerLink)

## Not run: 
dataSET <- AQSearch.Binodal(db.uid='56b53a50f500c502fa4a65d197fc6d84')
xLabel <- "Ammonium Sulphate" 
yLabel <- "Poly(ethylene glycol) 2000" 
EvalData <- AQSysEval(dataSET2 , xlbl = xLabel, ylbl = yLabel)

## End(Not run)