getOptimal: get Optimal condition in the crystallization plate

In xtal: Crystallization Toolset

Description

local regression for the crystal score across the screen matrix, and return the condition with the highest score

Usage

getOptimal(zga)

Arguments

zga	Exp object of experiment containing screen setting and score results

Author(s)

Qingan Sun, Xiaojun Li

Examples

# set up a Design object
# please read the 'design8Vertex' for detail
stock=matrix(nrow=8,ncol=3)
colnames(stock)=c("PEG","pH","salt")
stock[,1]=rep(c(6,16),4)
stock[,2]=rep(c(8,8,9.5,9.5),2)
stock[,3]=rep(c(0,300),each=4)
stock=data.frame(stock)
dim=list(5:0/5,3:0/3,3:0/3)
test8Vertex=design8Vertex(900,stock,dim)
# set up a Screen object
# please read the 'design2Screen' for detail
testScreen<-design2Screen(test8Vertex)
# the score from evaluation of crystal quality in screen plate
# in this example, the crystals are scored according to 
# the scale proposed by Carter & Carter
score=c(2,2,1,1,1,1,1,2,3,3,2,2,1,1,4,4,4,4,1,4,5,3,3,3,2,2,2,2,2,3,1,2,4,3,3,2,1,1,
1,1,1,1,1,1,3,4,3,4,2,2,4,3,3,3,1,4,3,3,4,2,1,2,3,3,4,3,1,3,3,3,5,4,2,2,2,3,
4,3,2,2,5,4,5,5,2,2,5,5,5,5,2,2,5,5,5,4)
testExp=new(Class='Exp',screen=testScreen, score=score)
testOpt<-getOptimal(testExp)

xtal documentation built on May 2, 2019, 1:28 p.m.