AQSysEval | R Documentation |
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)
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