Fig. 3: Diverse applications of SLEEPY. | Nature Communications

Fig. 3: Diverse applications of SLEEPY.

From: SLEEPY: a comprehensive Python module for simulating relaxation and dynamics in nuclear magnetic resonance

Fig. 3

A Typical exchange spectroscopy (EXSY) experiment, with two chemical shifts in asymmetric exchange (1-spin 13C system). B Saturation profile obtained for a chemical exchange saturation transfer (CEST) experiment (1-spin 13C system). C T1 and heteronuclear nuclear Overhauser effect (NOE) affects induced by a simple model of isotropic tumbling in solution (2-spin 15N, 1H system). Dotted/dashed lines indicate thermal polarization of the spins. D Rotational-Echo DOuble-Resonance (REDOR) dephasing curves as a function of correlation time (2-spin 15N, 1H system). E 15N R1ρ relaxation rate constant as a function of field strength (60 kHz magic-angle spinning, MAS) for a system with both chemical exchange and reorientational dynamics (2-spin 15N, 1H system). F Anisotropic T1 relaxation for a static sample, where all relaxation rate constants are extracted and plotted in a histogram. The inset gives the original T1 decay curve, with thermal equilibrium marked with a dotted line (2-spin 15N, 1H system). G Overhauser effect DNP enhancement of 1H signal via electron microwave irradiation (2-spin e-, 1H system). H Orientation dependence of the pseudocontact shift (PCS) in solution-NMR (2-spin e-, 1H system). The distance of the surface from the origin indicates the size of the shift, where a maroon surfaces indicate a positive shift, whereas turquoise indicates a negative shift. I Pseudocontact shift lineshape in solid-state NMR under MAS (2-spin e-, 1H system. Source data are provided as a Source Data file.

Back to article page