AQSysEval: AQSysEval

In diegofcoelho/LLSR: Data Analysis of Liquid-Liquid Systems using R

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)

## End(Not run)

diegofcoelho/LLSR documentation built on June 2, 2022, 10:39 p.m.