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Table 1 Identification of principal conformers by RCPCA with the entry 29 (an example) after limiting the explanation coverage to 80%

From: The comparison of automated clustering algorithms for resampling representative conformer ensembles with RMSD matrix

Conformer Id Factor 1 Factor 2 Factor 3 Factor 4
(Cumulative explanatory power) 49.4% 66.0% 74.4% 81.7%
1 0.166 −0.107 −0.040 −0.012
16 0.246 −0.448 0.673 0.396
17 −0.179 −0.028 −0.014 0.014
18 0.073 0.136 −0.156 −0.171
23 0.053 0.467 −0.236 0.032
24 0.173 0.004 0.081 0.084
25 0.166 0.008 0.033 0.034
34 −0.120 0.282 0.051 0.433
35 0.198 0.163 −0.012 −0.043
36 −0.002 0.010 0.287 0.271
37 −0.182 −0.068 −0.145 −0.087
38 0.203 0.063 0.021 −0.018