LLSR (version 0.0.3.1)

AQSysEval: AQSysEval

Description

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

Usage

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
)

Arguments

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]

References

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)

Examples

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