Hi Sandra,

> I don't think it is a good idea to remove PCA or Sammon's.  In the context of 
> clustering, PCA or Sammons are just visualization tools (add ons)
> but in general, you would like also to visualize the original clinical 
> grouping of samples.  For clustering PCA visualization I only show the two 
> first components, removing the rest to simplify the parameters.
> I have seen that the actual PCA method is not working for all the data sets. 
> We are developing (in my group) a new Java library for data analysis which 
> contains the NIPALS (Non-linear iterative partial least squares) method for 
> PCA  which should work always. Should I change it?

Do you know what is the reason that the current PCA method does not work for 
all data sets?

By the way, how about hierarchical clustering for the individual metabolites? :)

Tomas

===============================================
Tomas Pluskal
G0 Cell Unit, Okinawa Institute of Science and Technology
1919-1 Tancha, Onna-son, Okinawa 904-0412, Japan
TEL:  +81-98-966-8684





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