Great appreciate to all who provide the info about PCA software, looks
like there are not many options, therefore, I post all the messages I
got for the group information:
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I am not sure what analysis you wish to perform (discriminant?) but there are
some arguments for not using PCA - especially if you wish to retain the
information about whaich resonances are the best discriminators between
cell/tissue types.
There is a bit of a review here:
Tate AR etal (1998)
NMR in Biomedicine 11:177-191.
Also look at the extensive literature from Ray Somorjai (NRC, Canada).
A bit of discussion about identification of bacteria in my paper which I have
attached as a PDF. (JOURNAL OF CLINICAL MICROBIOLOGY, Vol 39, No. 8, p2916-2923, Year 2001)
As for software, I have used STATISTICA (www.StatSoft.com) and the new release
seems to be very versatile.
I used to use Bruker AMIX software but the version I had (ca. 1999) was very
buggy and I returned simply integrating in XWINNMR.
Roger Bourne
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For PCA analysis the following commercial packages are available (none
are cheap - rough cost $4-5,000, for 1) and 2), and $2000 for 3)):
1)Pirouette by Infometrix
http://www.infometrix.com
2)Unscrambler by CAMO
http://www.camo.com/default.asp?WCI=WebPage&WCE=unscramblerfamily
3)If you are mathematically inclined and have acces to Matlab
(
http://www.mathworks.com) there is a great add-in toolbox from
Eigenvector research (
http://www.eigenvector.com) that has PCA and other
chemometric algorithms. The eigenvector package is $250 I think and
Matlab can be obtained relatively cheaply by academic researchers.
However, you need to be able to do alittle programming to pull this one
off.
John C. Edwards
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Statistica (by Statsoft,
http://www.statsoftinc.com) is a commercial program
that includes PCA.
You can also try Vista (
http://www.visualstats.org), which is freeware.
Both work for Win95/98/2000, if I remember correctly.
Good luck,
A. Spyros
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Infometrix (www.infometrix.com) has a product called Pirouette that I
use and like. You can download a free demo version from their website.
If you do a google search you can find other vendors.
Gregory C. Leo
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In addition, I received an email from Bruker. Bruker's AMIX has PCA
capability build in.
Have a great day
Wei Li
Received on Tue Mar 12 2002 - 14:37:35 MST