For the current implementation in relax, the frame order theory has been derived for molecules internally aligned using paramagnetic lanthanide ions. The data required for the analysis includes both residual dipolar couplings (RDCs) and pseudocontact shifts (PCSs). Both data sets are required as they are complementary, each carrying different dynamics information:
For a successful analysis, the data must be of the highest quality. In addition, multiple alignments are required, either using different lanthanide ions and/or a different attachment point for the lanthanide ion. Note that the current implementation only handles alignment of one rigid body or domain.
The relax user manual (PDF), created 2020-08-26.