A classification tool for N-way arrays based on SIMCA methodology

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Simulated data SENS SIM 1 SIM 2 SIM 3 class1 class2 class3 class1 class2 class3 class1 class2 class3 train test train test train test train test train test train test train test train test train test H/Q Fit 100 100 94 100 94 100 100 100 91 75 97 44 98 100 97 100 97 100 H/Q FitAP 100 100 97 100 94 100 100 100 94 75 94 33 100 100 97 100 97 100 H/Q CV 95% 95 100 97 100 89 89 95 100 97 100 97 100 98 100 94 100 97 100 H/Q CV AP 100 100 97 100 94 100 100 100 100 100 97 100 100 100 97 100 97 100 D/Q Fit 100 100 100 100 94 89 100 100 94 75 97 56 98 100 100 100 100 100 D/Q CV 100 100 97 100 97 100 100 100 100 100 100 100 98 100 100 100 97 100 D/Q CV 95 % 95 100 97 100 89 89 95 100 97 100 95 100 98 100 88 100 94 100 SIMCA orig 100 100 100 100 100 89 100 100 100 100 100 67 100 100 100 100 100 78 SIMCA orig CV 100 100 100 100 100 89 100 100 100 100 100 78 100 100 100 100 100 78 SIMCA orig fp 100 100 100 100 100 89 100 100 100 100 100 56 100 100 100 100 100 78 SPEC non SPEC non SPEC H/Q Fit 100 100 100 100 43 44 99 100 76 68 26 17 100 100 100 100 79 83 H/Q FitAP 100 100 99 100 56 61 99 94 79 68 31 22 100 100 100 100 82 83 H/Q CV 95% 100 100 100 100 72 61 99 100 64 53 6 11 100 100 100 100 89 83 H/Q CV AP 100 100 99 100 33 61 99 94 51 42 6 11 100 100 100 100 79 83 D/Q Fit 100 100 99 100 35 28 99 94 67 63 26 10 100 100 100 100 65 72 D/Q CV 100 100 99 100 21 17 99 94 39 37 3 0 100 100 99 100 63 72 D/Q CV 95 % 100 100 100 100 72 61 99 100 64 53 6 11 100 100 100 100 89 83 SIMCA orig 98 100 100 100 26 22 96 88 21 26 3 6 100 100 97 100 70 83 SIMCA orig CV 98 100 100 100 26 22 93 88 21 26 1 0 100Dr. Marina 100 CocchiMORE 97 100chemometrics, 70 83 SIMCA orig fp 98 100 100 100 26 33 96 TRICAP 88 21 200926 3 6 Department 100 100of Chemistry-University 97 100 70 of Modena 83
Sim 1 PARAFAC [3 4 4] Sim1 class 3: 36 x 40 x 40 ‣CV 95% limits are more TRICAP 2009 specific ‣the arrow out indicates box-plot outliers omitted <strong>for</strong>m CV 95% lim estimation ‣fitAP limits seems better than fit limits ‣Anyhow Dr. Marina overlap CocchiMORE 2-3 chemometrics, is in the Department of Chemistry-University of Modena data
Page 1 and 2: A classification <
Page 3 and 4: Context Why N-way
Page 5 and 6: Overview of 2-way
Page 11 and 12: SIMCA extension to N-way</s
Page 13 and 14: SIMCA extension to N- way</
Page 15: Simulated data 3 (+ 2) Data sets n
Page 19 and 20: Sim 1 small small 1 SENSITIVITY H/Q
Page 21 and 22: Sim 2 PARAFAC [3 4 4] ‣ in this c
Page 23 and 24: Sim 3 PARAFAC [2 3 2] ‣ essential
Page 25 and 26: Sim 3 PARAFAC [2 3 2] Coomans 2 vs
Page 27 and 28: Parma Ham Data set Jens K.S. Mølle
Page 29 and 30: Parma Ham With AP limits the only c
Page 31 and 32: Parma Ham Coomans plots 1 vs. 2 TRI
Page 33 and 34: Extra Vergin Oliv Oil (EVOO) Data s
Page 35 and 36: EVOO Data set Preprocessing ‣ 3 r
Page 37 and 38: EVOO Data set NSIMCA analysis ‣in
Page 39 and 40: Final remarks Perspective ‣ sampl
Page 41 and 42: atio objs/LVs 41

A classification tool for N-way arrays based on SIMCA methodology

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