Table 1.

Frames in first 10 clusters from Daura and Cnn, and 2 clusters from UmapLnk. For each clustering method we report the number of frames, first per cluster (column ‘total’) and then cumulative (column ‘cum’). For Cnn, we additionally display the number of initial frames and added frames. UMAPLnk covers all 2500 frames in 2 clusters (due to splitting the whole tree). For Cnn with r_Cnn = 0.1 nm, 2 clusters already represented 2488 frames, i.e. 99.5% of frames, whereas for Daura it takes as many as 10 clusters to represent not more than 65% of frames (see numbers in bold). For the small cutoff, both, Daura and Cnn are unsatisfactory, harvesting only 414 and 1224 frames, respectively.

	rc= rCnn = 0.05 nm						rc= rCnn = 0.10 nm
Cluster nr	Daura		Cnn				Daura		Cnn				UMAPLnk
	total	cum	initial	added	total	cum	total	cum	initial	added	total	cum	total	cum
1	84	84	84	795	879	879	645	645	645	297	942	942	943	943
2	65	149	9	98	107	986	213	885	213	1333	1546	2488	1557	2500
3	53	202	8	27	35	1021	131	989	3	0	3	2491	-	-
4	41	243	7	22	29	1050	122	1111	1	0	1	2492	-	-
5	34	277	6	5	11	1061	113	1224	1	0	1	2493	-	-
6	33	310	6	21	27	1088	111	1335	1	0	1	2494	-	-
7	33	343	5	6	11	1099	84	1419	1	0	1	2495	-	-
8	26	369	5	1	6	1105	73	1492	1	0	1	2496	-	-
9	25	394	7	6	13	1118	72	1564	1	0	1	2497	-	-
10	20	414	5	1	6	1224	70	1634	1	0	1	2498	-	-