A classification tool for N-way arrays based on SIMCA methodology
A classification tool for N-way arrays based on SIMCA methodology
A classification tool for N-way arrays based on SIMCA methodology
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<strong>SIMCA</strong> extensi<strong>on</strong> to N-<str<strong>on</strong>g>way</str<strong>on</strong>g><br />
DIFFERENT CLASSIFICATION RULES implemented at this stage to evaluate<br />
per<str<strong>on</strong>g>for</str<strong>on</strong>g>mances<br />
X (I x J x K)<br />
Factors: L, M, N (in case of PARAFAC L=M=N)<br />
‣ <strong>SIMCA</strong> original<br />
Orthog<strong>on</strong>al distance (defined as in Flaten et al. )<br />
RSDnew = sqrt [e T e / (J-M)*(K-N) ]<br />
RSDref = sqrt [er T er*(I-1)/(I-L -1)*(J-M)*(K-N) ]<br />
or dof = n. of data entry - n. free<br />
parameters<br />
(<strong>SIMCA</strong> original fp)<br />
Scores distance (defined as in original Wold et al. 1978) using T (Mode 1 loadings) and from<br />
boundary<br />
Classificati<strong>on</strong> rule (defined as in original Wold et al. 1978)<br />
D 2 new = RSD 2 new + ΣaΦa2(Ta –ϑa(q),lim) 2 D 2 new crit = RSD 2 ref * Fcrit<br />
F0.95 (J-M)(K-<br />
N), (I-L-1)(J-M)(K-N)<br />
‣ <strong>SIMCA</strong> original CV<br />
same as above but with residual (e) and scores (T) estimated in CV (<strong>on</strong>e slab out in Mode<br />
1)<br />
TRICAP 2009<br />
Dr. Marina CocchiMORE chemometrics,<br />
Department of Chemistry-University of Modena
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