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Hello Arun-- > > A.x=b ---- eq (1) > > where > > A is a matrix composed of the direction cosines of the internuclear vectors > ( for the fragment under concern) > > x is the alignment tensor matrix and > > b is the Experimental RDC for the fragment > > First we calculate x by doing an inverse of A and multiplying it with b as > > x = inverse(A) * b note that A is not a square matrix in general (the rank of the tensor is usually different than the number of observed RDCs). A more generalized inverse is possible- this is the idea of the SVD approach: Losonczi J.A., Andrec M., Fischer M.W.F. and Prestegard J.H. (1999). J. Magn. Reson. 138:334\u2013342 > Or is there any loss of information when we do the back calculation for > expected RDC that brings about the difference between the calculated and > experimental RDC. Usually, there are more observed RDCs than tensor degrees of freedom, such that observed and calculated RDC values can not agree. hope this helps-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFGk+uUPK2zrJwS/lYRAtwxAJ0c9kRoX4guR5bOQe7aTGtXjWaSIgCfTA9i jnuSO+qvLEiyTxzJ7DHVtI8= =pgQB -----END PGP SIGNATURE-----
