========================================================================= Readme text file for data archive to accompany "Relaxational signal attenuation during soft refocusing pulses" Runchao Li, Laura Castañar, Mathias Nilsson and Gareth A. Morris NMR Methodology Group University of Manchester July 2022 ========================================================================= Contents ======== \Mathematica Notebook used for analysis of experimental data, simulation, fitting and generation of figures Selective_spin_echo_without_gradient.nb \Annotated pulse sequences UoM_CPa_T2_2d T2 by CP method A t1ir T1 by inversion recovery UoM_selse_gauss selective spin echo with gaussian 180º pulse UoM_selse_reburp selective spin echo with reburp 180º pulse UoM_selse_rsnob selective spin echo with rsnob 180º pulse UoM_selse_square selective spin echo with rectangular 180º pulse \Experimental data Raw Bruker data and summary Excel table SSE_experimental.xlsx experimental HDO peak integrals \Cu63 data for 6.3 mM CuSO4 in D2O 1 1H spectrum 2 T1 experiment using inversion recovery 3 T2 experiment using CP method A 4 selective spin echo using 1 ms rectangular pulse 5 selective spin echo using 2 ms rectangular pulse 6 selective spin echo using 3.5 ms rectangular pulse 7 selective spin echo using 5 ms rectangular pulse 8 selective spin echo using 10 ms rectangular pulse 9 selective spin echo using 20 ms rectangular pulse 10 selective spin echo using 35 ms rectangular pulse 11 selective spin echo using 50 ms rectangular pulse 12 selective spin echo using 70 ms rectangular pulse 13 selective spin echo using 100 ms rectangular pulse 14 selective spin echo using 1 ms gaussian pulse 15 selective spin echo using 2 ms gaussian pulse 16 selective spin echo using 3.5 ms gaussian pulse 17 selective spin echo using 5 ms gaussian pulse 18 selective spin echo using 10 ms gaussian pulse 19 selective spin echo using 20 ms gaussian pulse 20 selective spin echo using 35 ms gaussian pulse 21 selective spin echo using 50 ms gaussian pulse 22 selective spin echo using 70 ms gaussian pulse 23 selective spin echo using 100 ms gaussian pulse 24 selective spin echo using 1 ms rsnob pulse 25 selective spin echo using 2 ms rsnob pulse 26 selective spin echo using 3.5 ms rsnob pulse 27 selective spin echo using 5 ms rsnob pulse 28 selective spin echo using 10 ms rsnob pulse 29 selective spin echo using 20 ms rsnob pulse 30 selective spin echo using 35 ms rsnob pulse 32 selective spin echo using 50 ms rsnob pulse 33 selective spin echo using 70 ms rsnob pulse 33 selective spin echo using 100 ms rsnob pulse 34 selective spin echo using 1 ms reburp pulse 35 selective spin echo using 2 ms reburp pulse 36 selective spin echo using 3.5 ms reburp pulse 37 selective spin echo using 5 ms reburp pulse 38 selective spin echo using 10 ms reburp pulse 39 selective spin echo using 20 ms reburp pulse 40 selective spin echo using 35 ms reburp pulse 43 selective spin echo using 50 ms reburp pulse 44 selective spin echo using 70 ms reburp pulse 44 selective spin echo using 100 ms reburp pulse \Cu164 data for 1.64 mM CuSO4 in D2O 1 1H spectrum 2 T1 experiment using inversion recovery 3 T2 experiment using CP method A 4 selective spin echo using 1 ms rectangular pulse 5 selective spin echo using 2 ms rectangular pulse 6 selective spin echo using 3.5 ms rectangular pulse 7 selective spin echo using 5 ms rectangular pulse 8 selective spin echo using 10 ms rectangular pulse 9 selective spin echo using 20 ms rectangular pulse 10 selective spin echo using 35 ms rectangular pulse 11 selective spin echo using 50 ms rectangular pulse 12 selective spin echo using 70 ms rectangular pulse 13 selective spin echo using 100 ms rectangular pulse 14 selective spin echo using 1 ms gaussian pulse 15 selective spin echo using 2 ms gaussian pulse 16 selective spin echo using 3.5 ms gaussian pulse 17 selective spin echo using 5 ms gaussian pulse 18 selective spin echo using 10 ms gaussian pulse 19 selective spin echo using 20 ms gaussian pulse 20 selective spin echo using 35 ms gaussian pulse 21 selective spin echo using 50 ms gaussian pulse 22 selective spin echo using 70 ms gaussian pulse 23 selective spin echo using 100 ms gaussian pulse 24 selective spin echo using 1 ms rsnob pulse 25 selective spin echo using 2 ms rsnob pulse 26 selective spin echo using 3.5 ms rsnob pulse 27 selective spin echo using 5 ms rsnob pulse 28 selective spin echo using 10 ms rsnob pulse 29 selective spin echo using 20 ms rsnob pulse 30 selective spin echo using 35 ms rsnob pulse 32 selective spin echo using 50 ms rsnob pulse 33 selective spin echo using 70 ms rsnob pulse 33 selective spin echo using 100 ms rsnob pulse 34 selective spin echo using 1 ms reburp pulse 35 selective spin echo using 2 ms reburp pulse 36 selective spin echo using 3.5 ms reburp pulse 37 selective spin echo using 5 ms reburp pulse 38 selective spin echo using 10 ms reburp pulse 39 selective spin echo using 20 ms reburp pulse 40 selective spin echo using 35 ms reburp pulse 43 selective spin echo using 50 ms reburp pulse 44 selective spin echo using 70 ms reburp pulse 44 selective spin echo using 100 ms reburp pulse \Mn72 data for 0.072 mM MnCl2 in D2O 1 1H spectrum 2 T1 experiment using inversion recovery 3 T2 experiment using CP method A 4 selective spin echo using 1 ms rectangular pulse 5 selective spin echo using 2 ms rectangular pulse 6 selective spin echo using 3.5 ms rectangular pulse 7 selective spin echo using 5 ms rectangular pulse 8 selective spin echo using 10 ms rectangular pulse 9 selective spin echo using 20 ms rectangular pulse 10 selective spin echo using 35 ms rectangular pulse 11 selective spin echo using 50 ms rectangular pulse 12 selective spin echo using 70 ms rectangular pulse 13 selective spin echo using 100 ms rectangular pulse 14 selective spin echo using 1 ms gaussian pulse 15 selective spin echo using 2 ms gaussian pulse 16 selective spin echo using 3.5 ms gaussian pulse 17 selective spin echo using 5 ms gaussian pulse 18 selective spin echo using 10 ms gaussian pulse 19 selective spin echo using 20 ms gaussian pulse 20 selective spin echo using 35 ms gaussian pulse 21 selective spin echo using 50 ms gaussian pulse 22 selective spin echo using 70 ms gaussian pulse 23 selective spin echo using 100 ms gaussian pulse 24 selective spin echo using 1 ms rsnob pulse 25 selective spin echo using 2 ms rsnob pulse 26 selective spin echo using 3.5 ms rsnob pulse 27 selective spin echo using 5 ms rsnob pulse 28 selective spin echo using 10 ms rsnob pulse 29 selective spin echo using 20 ms rsnob pulse 30 selective spin echo using 35 ms rsnob pulse 32 selective spin echo using 50 ms rsnob pulse 33 selective spin echo using 70 ms rsnob pulse 33 selective spin echo using 100 ms rsnob pulse 34 selective spin echo using 1 ms reburp pulse 35 selective spin echo using 2 ms reburp pulse 36 selective spin echo using 3.5 ms reburp pulse 37 selective spin echo using 5 ms reburp pulse 38 selective spin echo using 10 ms reburp pulse 39 selective spin echo using 20 ms reburp pulse 40 selective spin echo using 35 ms reburp pulse 43 selective spin echo using 50 ms reburp pulse 44 selective spin echo using 70 ms reburp pulse 44 selective spin echo using 100 ms reburp pulse \Mn144 data for 0.144 mM MnCl2 in D2O 1 1H spectrum 2 T1 experiment using inversion recovery 3 T2 experiment using CP method A 4 selective spin echo using 1 ms rectangular pulse 5 selective spin echo using 2 ms rectangular pulse 6 selective spin echo using 3.5 ms rectangular pulse 7 selective spin echo using 5 ms rectangular pulse 8 selective spin echo using 10 ms rectangular pulse 9 selective spin echo using 20 ms rectangular pulse 10 selective spin echo using 35 ms rectangular pulse 11 selective spin echo using 50 ms rectangular pulse 12 selective spin echo using 70 ms rectangular pulse 13 selective spin echo using 100 ms rectangular pulse 14 selective spin echo using 1 ms gaussian pulse 15 selective spin echo using 2 ms gaussian pulse 16 selective spin echo using 3.5 ms gaussian pulse 17 selective spin echo using 5 ms gaussian pulse 18 selective spin echo using 10 ms gaussian pulse 19 selective spin echo using 20 ms gaussian pulse 20 selective spin echo using 35 ms gaussian pulse 21 selective spin echo using 50 ms gaussian pulse 22 selective spin echo using 70 ms gaussian pulse 23 selective spin echo using 100 ms gaussian pulse 24 selective spin echo using 1 ms rsnob pulse 25 selective spin echo using 2 ms rsnob pulse 26 selective spin echo using 3.5 ms rsnob pulse 27 selective spin echo using 5 ms rsnob pulse 28 selective spin echo using 10 ms rsnob pulse 29 selective spin echo using 20 ms rsnob pulse 30 selective spin echo using 35 ms rsnob pulse 32 selective spin echo using 50 ms rsnob pulse 33 selective spin echo using 70 ms rsnob pulse 33 selective spin echo using 100 ms rsnob pulse 34 selective spin echo using 1 ms reburp pulse 35 selective spin echo using 2 ms reburp pulse 36 selective spin echo using 3.5 ms reburp pulse 37 selective spin echo using 5 ms reburp pulse 38 selective spin echo using 10 ms reburp pulse 39 selective spin echo using 20 ms reburp pulse 40 selective spin echo using 35 ms reburp pulse 43 selective spin echo using 50 ms reburp pulse 44 selective spin echo using 70 ms reburp pulse 44 selective spin echo using 100 ms reburp pulse \Mix164 data for 1.64 mM CuSO4 and 0.263 mM MnCl2 in D2O 1 1H spectrum 2 T1 experiment using inversion recovery 3 T2 experiment using CP method A 4 selective spin echo using 1 ms rectangular pulse 5 selective spin echo using 2 ms rectangular pulse 6 selective spin echo using 3.5 ms rectangular pulse 7 selective spin echo using 5 ms rectangular pulse 8 selective spin echo using 10 ms rectangular pulse 9 selective spin echo using 20 ms rectangular pulse 10 selective spin echo using 35 ms rectangular pulse 11 selective spin echo using 50 ms rectangular pulse 12 selective spin echo using 70 ms rectangular pulse 13 selective spin echo using 100 ms rectangular pulse 14 selective spin echo using 1 ms gaussian pulse 15 selective spin echo using 2 ms gaussian pulse 16 selective spin echo using 3.5 ms gaussian pulse 17 selective spin echo using 5 ms gaussian pulse 18 selective spin echo using 10 ms gaussian pulse 19 selective spin echo using 20 ms gaussian pulse 20 selective spin echo using 35 ms gaussian pulse 21 selective spin echo using 50 ms gaussian pulse 22 selective spin echo using 70 ms gaussian pulse 23 selective spin echo using 100 ms gaussian pulse 24 selective spin echo using 1 ms rsnob pulse 25 selective spin echo using 2 ms rsnob pulse 26 selective spin echo using 3.5 ms rsnob pulse 27 selective spin echo using 5 ms rsnob pulse 28 selective spin echo using 10 ms rsnob pulse 29 selective spin echo using 20 ms rsnob pulse 30 selective spin echo using 35 ms rsnob pulse 32 selective spin echo using 50 ms rsnob pulse 33 selective spin echo using 70 ms rsnob pulse 33 selective spin echo using 100 ms rsnob pulse 34 selective spin echo using 1 ms reburp pulse 35 selective spin echo using 2 ms reburp pulse 36 selective spin echo using 3.5 ms reburp pulse 37 selective spin echo using 5 ms reburp pulse 38 selective spin echo using 10 ms reburp pulse 39 selective spin echo using 20 ms reburp pulse 40 selective spin echo using 35 ms reburp pulse 43 selective spin echo using 50 ms reburp pulse 44 selective spin echo using 70 ms reburp pulse 44 selective spin echo using 100 ms reburp pulse \Mix41 data for 0.41 mM CuSO4 and 0.066 mM MnCl2 in D2O 1 1H spectrum 2 T1 experiment using inversion recovery 3 T2 experiment using CP method A 4 selective spin echo using 1 ms rectangular pulse 5 selective spin echo using 2 ms rectangular pulse 6 selective spin echo using 3.5 ms rectangular pulse 7 selective spin echo using 5 ms rectangular pulse 8 selective spin echo using 10 ms rectangular pulse 9 selective spin echo using 20 ms rectangular pulse 10 selective spin echo using 35 ms rectangular pulse 11 selective spin echo using 50 ms rectangular pulse 12 selective spin echo using 70 ms rectangular pulse 13 selective spin echo using 100 ms rectangular pulse 14 selective spin echo using 1 ms gaussian pulse 15 selective spin echo using 2 ms gaussian pulse 16 selective spin echo using 3.5 ms gaussian pulse 17 selective spin echo using 5 ms gaussian pulse 18 selective spin echo using 10 ms gaussian pulse 19 selective spin echo using 20 ms gaussian pulse 20 selective spin echo using 35 ms gaussian pulse 21 selective spin echo using 50 ms gaussian pulse 22 selective spin echo using 70 ms gaussian pulse 23 selective spin echo using 100 ms gaussian pulse 24 selective spin echo using 1 ms rsnob pulse 25 selective spin echo using 2 ms rsnob pulse 26 selective spin echo using 3.5 ms rsnob pulse 27 selective spin echo using 5 ms rsnob pulse 28 selective spin echo using 10 ms rsnob pulse 29 selective spin echo using 20 ms rsnob pulse 30 selective spin echo using 35 ms rsnob pulse 32 selective spin echo using 50 ms rsnob pulse 33 selective spin echo using 70 ms rsnob pulse 33 selective spin echo using 100 ms rsnob pulse 34 selective spin echo using 1 ms reburp pulse 35 selective spin echo using 2 ms reburp pulse 36 selective spin echo using 3.5 ms reburp pulse 37 selective spin echo using 5 ms reburp pulse 38 selective spin echo using 10 ms reburp pulse 39 selective spin echo using 20 ms reburp pulse 40 selective spin echo using 35 ms reburp pulse 43 selective spin echo using 50 ms reburp pulse 44 selective spin echo using 70 ms reburp pulse 44 selective spin echo using 100 ms reburp pulse =========================================================================