[R] Design and analysis of mixture experiments

k.jewell at campden.co.uk k.jewell at campden.co.uk
Mon Apr 21 17:54:19 CEST 2008

A summary, for those interested and posterity...

Thanks to Christos Hatzis who is correct, the package 'AlgDesign' (which I'd
overlooked) has gen.mixture which "Creates a candidate list of mixture
> gen.mixture(4,c("egg", "flour", "butter"))

Thanks also to a private e-mailer who suggested approaches on the lines of
> egg <- flour <- butter <- seq(0,100,length=2)
> cakemix <- expand.grid(egg=egg, flour=flour,butter=butter)
> cakemix <- cakemix[apply(cakemix,1,sum)>0,]
> cakemix <- as.data.frame(t(apply(cakemix,1,function(x) x/sum(x))))
> cakemix <- cakemix[!duplicated(cakemix),]
> cakemix

However, I was looking for something much more sophisticated, on the lines
of pages following the link in my first post
<http://www.itl.nist.gov/div898/handbook/pri/section5/pri54.htm>, at least
including extreme vertices designs.

In addition to the design, analysis of the resulting data can be (is!)
complicated by the redundancy in the design variables; one must be quite
sophisticated (by my standards!) in specifying models to be fitted to the
data and in interpreting the results. 

I was hoping that R had a package to make the whole thing easier, but I
guess I have to agree with the private e-mailer that
In fact, R is pretty ropey at this kind of classical industrial experimental
designs. You can cobble designs together, but there seems to be nothing that
straightforwardly generates things like central composites, box-behnken etc.
Obviously still waiting for someone to write the package.
I suppose this is a consequence of Rs origins in academia, and the academic
background of many of the major contributors (to whom all praise!).

I'm sure I could do this work in R (or even contribute a package!) if only I
had the necessary skills and time. Never mind, I have other tools which will
do the job. It's just a little iconoclastic finding needs that R can't meet

Regards to all.

Keith Jewell
mailto:k.jewell at campden.co.uk telephone (direct) +44 (0)1386 842055
Released by Mr. K. Jewell

> -----Original Message-----
> From: Christos Hatzis [mailto:christos.hatzis at nuverabio.com]
> Sent: 17 April 2008 17:24
> To: Jewell, Keith; r-help at r-project.org
> Subject: RE: [R] Design and analysis of mixture experiments
> The place to look is the CRAN Task View 'ExperimentalDesign'.
> There are several packages there related to design and analysis of
> experiments.
> The package 'AlgDesign' appears to have a function for generating
> mixture
> designs, and there might be others in other packages.
> Good luck!
> -Christos
> > -----Original Message-----
> > From: r-help-bounces at r-project.org
> > [mailto:r-help-bounces at r-project.org] On Behalf Of
> > k.jewell at campden.co.uk
> > Sent: Thursday, April 17, 2008 11:45 AM
> > To: r-help at r-project.org
> > Subject: [R] Design and analysis of mixture experiments
> >
> > Hi,
> >
> > I'm interested in experimental design and data analysis on
> > mixtures, like cake recipes where the sum of the components
> > is fixed; e.g.
> > <http://www.itl.nist.gov/div898/handbook/pri/section5/pri54.htm>.
> >
> > I can't believe that R doesn't have facilities to design and
> > analyse such experiments, but I haven't been able to find
> > them (I have looked quite hard!). Can anyone point me in the
> > right direction?
> >
> > Thanks in advance,
> >
> > Keith Jewell
> > mailto:k.jewell at campden.co.uk telephone (direct) +44 (0)1386
> > 842055 Released by Mr. K. Jewell

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