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Table 3

Spartan optimisation errors

 Scenarios
304050
RMSD optimisation 0.5671 0.8250 1.3542 
RMSE optimisation 6.8550 14.2811 17.9336 
Corresponding RMSDs 0.9528 0.9621 1.1672 
Akaike optimisation −158.3399 −165.3199 −192.8193 
Corresponding RMSDs 2.2906 4.9930 8.6190 
 Scenarios
304050
RMSD optimisation 0.5671 0.8250 1.3542 
RMSE optimisation 6.8550 14.2811 17.9336 
Corresponding RMSDs 0.9528 0.9621 1.1672 
Akaike optimisation −158.3399 −165.3199 −192.8193 
Corresponding RMSDs 2.2906 4.9930 8.6190 

Smallest possible value for the RMSD, RMSE and Akaike. The corresponding RMSD error is given for the RMSE and Akaike optimisations.

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