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.1–C.2 are: 1=blue, 2=red, 3=cyan, 4=yellow, 5=purple.
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