Open Access

Table C.1

Cluster content for all Cases and feature combinations.

B68 L1521E L1544
combi 1 Case 1 (502) Case 2 (443) Case 3 (439) Case 4 (693) Case 1 (436) Case 2 (437) Case 3 (481) Case 4 (677) Case 1 (445) Case 2 (404) Case 3 (477) Case 4 (663)
# | % # | % # | % # | % # | % # | % # | % # | % # | % # | % # | % # | %
cluster 1 250 | 44/56 212 | 55/45 156 | 74/26 304 | 32/27/42 97 | 52/48 109 | 33/67 104 | 38/62 191 | 35/30/35 178 | 39/61 184 | 38/62 168 | 67/33 298 | 26/31/43
cluster 2 52 | 54/46 26 | 85/15 135 | 45/55 39 | 38/41/21 71 | 58/42 49 | 55/45 96 | 29/71 158 | 34/32/34 49 | 0/100 59 | 53/47 49 | 96/ 4 47 | 0/ 4/96
cluster 3 7 | 57/43 20 | 75/25 22 | 45/ 9/45 27 | 63/37 48 | 58/42 16 | 69/31 34 | 62/29/ 9 28 | 82/18 18 | 39/61 30 | 37/43/20
cluster 4 11 | 27/ 0/73 21 | 90/10 48 | 83/17 15 | 47/53 20 | 0/100/ 0 17 | 0/100 17 | 0/100 17 | 0/100/ 0
cluster 5 20 | 0/100 10 | 90/10 17 | 0/94/ 6 13 | 62/38
combi 2 Case 1 Case 2 Case 3 Case 4 Case 1 Case 2 Case 3 Case 4 Case 1 Case 2 Case 3 Case 4
cluster 1 99 | 46/54 330 | 55/45 172 | 72/28 334 | 34/27/39 120 | 57/43 141 | 35/65 359 | 54/46 183 | 39/27/33 218 | 46/64 261 | 41/59 132 | 66/34 202 | 35/17/48
cluster 2 66 | 21/79 6 | 67/13 21 | 86/14 41 | 37/ 7/56 60 | 23/77 101 | 64/36 19 | 0/100 164 | 24/39/37 36 | 8/92 80 | 59/41 45 | 73/27 78 | 23/72/ 5
cluster 3 45 | 42/58 20 | 0/100 42 | 50/50 17 | 0/100 32 | 41/59 41 | 88/12 67 | 27/24/49
cluster 4 32 | 81/19 16 | 0/100 19 | 16/84 38 | 11/89 63 | 11/ 8/81
cluster 5 30 | 73/27 18 | 17/83 24 | 0/100 23 | 0/100/ 0
combi 3 Case 1 Case 2 Case 3 Case 4 Case 1 Case 2 Case 3 Case 4 Case 1 Case 2 Case 3 Case 4
cluster 1 114 | 43/57 264 | 53/47 264 | 58/42 469 | 34/28/38 83 | 43/57 154 | 38/62 173 | 48/52 260 | 28/39/33 159 | 42/58 224 | 47/53 111 | 68/32 182 | 24/35/41
cluster 2 107 | 48/52 33 | 67/33 21 | 100/0 47 | 49/ 6/45 51 | 65/35 106 | 54/46 34 | 71/29 86 | 41/20/40 151 | 28/72 50 | 22/78 110 | 65/35 63 | 38/52/10
cluster 3 50 | 42/58 11 | 82/18 50 | 40/60 24 | 29/71 31 | 6/94 30 | 37/57/ 7 29 | 69/31 19 | 95/5 52 | 4/96 61 | 25/31/44
cluster 4 50 | 24/76 10 | 90/10 34 | 56/44 25 | 40/60 23 | 91/9 36 | 0/100 24 | 8/17/75
cluster 5 20 | 30/70 23 | 39/61 22 | 100/0 12 | 0/100/ 0
combi 4 Case 1 Case 2 Case 3 Case 4 Case 1 Case 2 Case 3 Case 4 Case 1 Case 2 Case 3 Case 4
cluster 1 362 | 48/52 391 | 60/40 96 | 83/17 473 | 40/19/41 96 | 54/46 120 | 45/55 206 | 55/45 169 | 30/46/24 146 | 36/64 160 | 37/63 104 | 83/17 630 | 28/31/41
cluster 2 32 | 41/59 20 | 50/50 59 | 54/46 57 | 32/16/53 75 | 37/63 61 | 46/54 102 | 36/64 85 | 34/36/29 55 | 65/35 59 | 56/44 52 | 79/21 14 | 0/100/ 0
cluster 3 20 | 50/50 10 | 0/100 37 | 30/70 40 | 25/50/25 45 | 40/60 33 | 36/64 47 | 32/68 69 | 28/48/25 27 | 0/100 9 | 0/100 43 | 77/23 11 | 27/73/ 0
cluster 4 18 | 56/44 8 | 50/50 21 | 100/0 26 | 46/23/31 29 | 38/62 54 | 26/44/30 20 | 50/50 9 | 78/22 29 | 0/100
cluster 5 17 | 29/71 19 | 53/47 20 | 20/80/0 43 | 28/16/56 6 |67/33 19 | 0/100
combi 5 Case 1 Case 2 Case 3 Case 4 Case 1 Case 2 Case 3 Case 4 Case 1 Case 2 Case 3 Case 4
cluster 1 470 | 49/51 182 | 56/44 216 | 85/15 638 | 36/26/38 112 | 54/46 109 | 66/34 141 | 48/52 180 | 41/23/36 178 | 33/67 339 | 43/57 415 | 61/39 367 | 19/32/48
cluster 2 24 | 83/17 38 | 50/50 13 | 0/100 11 | 82/ 0/18 51 | 27/73 89 | 31/69 56 | 80/20 106 | 22/41/38 80 | 19/81 9 | 0/100 24 | 0/100 16 | 44/56/ 0
cluster 3 11 | 0/100 7 | 100/ 0/ 0 42 | 38/62 18 | 0/100 47 | 40/60 39 | 31/ 8/62 10 | 30/70 8 | 75/25 14 | 14/21/64
cluster 4 10 | 0/100 13 | 100/0 15 | 47/53 22 | 27/36/36 7 | 14/86 7 | 100/0
cluster 5 10 | 90/10 11 | 100/0 14 | 64/36 6 | 100/0
combi 6 Case 1 Case 2 Case 3 Case 4 Case 1 Case 2 Case 3 Case 4 Case 1 Case 2 Case 3 Case 4
cluster 1 204 | 38/62 174 | 61/39 106 | 73/27 333 | 34/21/45 142 | 49/51 137 | 47/53 159 | 47/53 239 | 31/34/35 211 | 27/73 179 | 35/65 318 | 57/43 377 | 19/36/46
cluster 2 84 | 48/52 35 | 66/34 52 | 71/29 23 | 43/9/48 59 | 44/56 79 | 56/44 32 | 81/19 57 | 51/23/26 15 | 7/93 24 | 38/62 13 | 0/100 24 | 33/67/ 0
cluster 3 18 | 33/67 41 | 78/22 41 | 71/29 26 | 27/73 32 | 62/38 31 | 23/52/26 11 | 9/91 8 | 0/100 16 | 31/19/50
cluster 4 32 | 22/78 31 | 42/58 20 | 50/5/45 9 | 33/67
cluster 5 27 | 0/100 16 | 25/6/69 6 | 50/50
combi 7 Case 1 Case 2 Case 3 Case 4 Case 1 Case 2 Case 3 Case 4 Case 1 Case 2 Case 3 Case 4
cluster 1 266 | 44/56 224 | 68/32 240 | 72/28 415 | 37/19/43 84 | 48/52 101 | 48/52 88 | 42/58 124 | 34/35/31 362 | 32/68 185 | 38/62 250 | 63/37 477 | 21/32/46
cluster 2 29 | 0/100 70 | 51/49 41 | 78/22 40 | 0/20/80 74 | 62/38 79 | 62/38 82 | 46/54 87 | 39/13/48 11 | 100/0 30 | 37/63 24 | 42/58 15 | 33/67/ 0
cluster 3 16 | 100/0 25 | 52/48 18 | 56/44 35 | 74/26/ 0 60 | 50/50 40 | 17/83 40 | 78/22 61 | 34/28/38 6 | 0/100 18 | 0/100
cluster 4 13 | 8/92 17 | 0/100 28 | 36/29/36 35 | 26/74 37 | 35/19/46 12 | 0/100
cluster 5 10 | 0/100 32 | 22/38/41 11 | 64/36
combi 8 Case 1 Case 2 Case 3 Case 4 Case 1 Case 2 Case 3 Case 4 Case 1 Case 2 Case 3 Case 4
cluster 1 435 | 49/51 398 | 60/40 273 | 69/31 149 | 32/17/50 94 | 46/54 368 | 45/55 184 | 51/49 470 | 28/33/39 351 | 36/64 136 | 40/60 390 | 59/41 372 | 20/32/48
cluster 2 19 | 47/53 22 | 45/55 40 | 90/10 134 | 49/ 6/45 48 | 48/52 25 | 32/68 37 | 97/ 3 32 | 25/59/16 18 | 50/50 64 | 50/50 17 | 59/41 35 | 14/37/49
cluster 3 8 | 50/50 38 | 39/61 63 | 35/14/51 41 | 15/85 26 | 23/77 14 | 21/79 35 | 37/46/17
cluster 4 8 | 0/100 17 | 0/100 38 | 34/66 26 | 38/62 13 | 15/23/62
cluster 5 18 | 50/50
combi 9 Case 1 Case 2 Case 3 Case 4 Case 1 Case 2 Case 3 Case 4 Case 1 Case 2 Case 3 Case 4
cluster 1 135 | 39/61 224 | 54/46 153 | 73/27 168 | 33/17/51 131 | 39/61 98 | 55/45 116 | 72/28 186 | 33/32/35 183 | 34/66 168 | 38/62 261 | 52/48 382 | 26/34/41
cluster 2 122 | 37/63 30 | 73/27 68 | 75/25 101 | 30/19/51 60 | 33/67 65 | 35/65 75 | 43/57 116 | 26/40/34 38 | 55/45 57 | 44/56 42 | 36/64 54 | 37/35/28
cluster 3 26 | 35/65 50 | 30/26/44 22 | 45/55 28 | 54/46 24 | 54/46 44 | 41/27/32 23 | 39/61
cluster 4 20 | 35/ 5/60 18 | 17/83 25 | 32/68 23 | 0/100 27 | 15/26/59
cluster 5 14 | 57/29/14 23 | 30/70 10 | 30/70
combi 10 Case 1 Case 2 Case 3 Case 4 Case 1 Case 2 Case 3 Case 4 Case 1 Case 2 Case 3 Case 4
cluster 1 146 | 51/49 248 | 65/35 287 | 68/32 142 | 45/12/43 273 | 42/58 76 | 47/53 106 | 72/28 344 | 28/28/44 319 | 34/66 138 | 40/60 391 | 56/44 486 | 25/33/42
cluster 2 89 | 48/52 33 | 58/42 60 | 40/60 123 | 38/24/38 45 | 42/58 47 | 57/43 68 | 49/51 56 | 21/54/25 20 | 50/50 31 | 42/58 15 | 87/13 25 | 36/52/12
cluster 3 44 | 45/55 29 | 34/66 30 | 33/67 78 | 31/38/31 31 | 48/52 39 | 36/64 35 | 34/66 50 | 24/52/24 13 | 100/0 30 | 50/50 10 | 60/40
cluster 4 22 | 45/55 15 | 13/87 21 | 0/100 33 | 33/30/36 24 | 50/50 31 | 55/45 15 | 40/60 40 | 28/57/15 11 | 0/100 15 | 53/47 8 | 0/100
cluster 5 18 | 83/17 20 | 60/40 25 | 32/68 15 | 40/60 23 | 22/48/30 7 | 100/0 13 | 15/85 6 | 50/50

Notes. Given are number of points per cluster and the percentage of c-C3H2 over CH3OH (Case 1), c-C3H2 over CH3CCH (Case 2), and c-C3H2 over CH3OH over CH3CCH (Case 4). Given in brackets is the total number of data points per dataset. Ratios that differ from the initial input ratio by . 10% are given in boldface. The clusters are ordered by size and enumerated from 1 to 5. The corresponding colours in Fig. 2 and Figs. C.1C.2 are: 1=blue, 2=red, 3=cyan, 4=yellow, 5=purple.

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