Paramagpy: software for fitting magnetic susceptibility tensors using paramagnetic effects measured in NMR spectra
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Paramagnetic metal ions with fast-relaxing electrons generate pseudocontact shifts (PCSs), residual dipolar couplings (RDCs), paramagnetic relaxation enhancements (PREs) and cross-correlated relaxation (CCR) in the nuclear magnetic resonance (NMR) spectra of t... ...
