RDC

RMS

root mean square difference between calculated and observed.

R-fac

Eq. 5 from Clore+Garrett, JACS 121, 9008 (1999). Da is scaled using the current scaling convention.

Devia

Deviation of calculated values in an EnsembleSimulation calculation.

Da

Alignment tensor Da.

Rh

rhombicity of the alignment tensor

R-inf

R-factor (in percent) for an infinite number of randomly distributed vectors. Eq. 3 from Clore+Garrett, JACS 121, 9008 (1999)

Viols

number of RDCs with |calcd − obs| values larger than threshold().

Chi^2

A normalized χ² = 1 ⁄ N∑_i(calcd_i − obs_i)² ⁄ err²_i. It is not meaningful if errors are not realistic.

corr

Pearson's correlation coefficient between calculated and observed RDCs.

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