######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_1H _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_1H _Spectral_peak_list.Entry_ID bmse011511 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '1D 1H' _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Details 'F1: 1H' loop_ _Spectral_dim.ID _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 600.1728185 H 1 'Full H' 12.0157698570257 ppm bmse011511 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_topspin bmse011511 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011511 1 2 bmse011511 1 3 bmse011511 1 4 bmse011511 1 5 bmse011511 1 6 bmse011511 1 7 bmse011511 1 8 bmse011511 1 9 bmse011511 1 10 bmse011511 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Details _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 2.6030 DMSO bmse011511 1 2 1 1.9549 m_2H bmse011511 1 3 1 2.1492 m_4H bmse011511 1 4 1 4.6500 SUP bmse011511 1 5 1 3.2053 quint_1H bmse011511 1 6 1 4.0608 q_2H bmse011511 1 7 1 1.7720 m_1H bmse011511 1 8 1 1.3228 t_4H_Q1 bmse011511 1 9 1 7.7868 s_1H bmse011511 1 10 1 7.4830 s_1H bmse011511 1 stop_ loop_ _Peak_coupling.ID _Peak_coupling.Peak_ID _Peak_coupling.Spectral_dim_ID _Peak_coupling.Coupling_val _Peak_coupling.Entry_ID _Peak_coupling.Spectral_peak_list_ID 1 1 1 1.9532 bmse011511 1 2 2 1 9.9861 bmse011511 1 3 3 1 4.3466 bmse011511 1 4 4 1 0.0000 bmse011511 1 5 5 1 8.8307 bmse011511 1 6 6 1 7.3726 bmse011511 1 7 7 1 4.6877 bmse011511 1 8 8 1 7.3726 bmse011511 1 9 9 1 0.0000 bmse011511 1 10 10 1 0.0000 bmse011511 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011511 1 2 bmse011511 1 3 bmse011511 1 4 bmse011511 1 5 bmse011511 1 6 bmse011511 1 7 bmse011511 1 8 bmse011511 1 9 bmse011511 1 10 bmse011511 1 11 bmse011511 1 12 bmse011511 1 13 bmse011511 1 14 bmse011511 1 15 bmse011511 1 16 bmse011511 1 17 bmse011511 1 18 bmse011511 1 19 bmse011511 1 20 bmse011511 1 21 bmse011511 1 22 bmse011511 1 23 bmse011511 1 24 bmse011511 1 25 bmse011511 1 26 bmse011511 1 27 bmse011511 1 28 bmse011511 1 29 bmse011511 1 30 bmse011511 1 31 bmse011511 1 32 bmse011511 1 33 bmse011511 1 34 bmse011511 1 35 bmse011511 1 36 bmse011511 1 37 bmse011511 1 38 bmse011511 1 39 bmse011511 1 40 bmse011511 1 41 bmse011511 1 42 bmse011511 1 43 bmse011511 1 44 bmse011511 1 45 bmse011511 1 46 bmse011511 1 47 bmse011511 1 48 bmse011511 1 49 bmse011511 1 50 bmse011511 1 51 bmse011511 1 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 1 2.5965 bmse011511 1 2 1 2.6000 bmse011511 1 3 1 2.6029 bmse011511 1 4 1 2.6058 bmse011511 1 5 1 2.6095 bmse011511 1 6 1 2.0215 bmse011511 1 7 1 2.0066 bmse011511 1 8 1 1.9667 bmse011511 1 9 1 1.9520 bmse011511 1 10 1 1.9487 bmse011511 1 11 1 1.9340 bmse011511 1 12 1 1.9185 bmse011511 1 13 1 1.9040 bmse011511 1 14 1 1.8884 bmse011511 1 15 1 2.1854 bmse011511 1 16 1 2.1691 bmse011511 1 17 1 2.1665 bmse011511 1 18 1 2.1506 bmse011511 1 19 1 2.1387 bmse011511 1 20 1 2.1354 bmse011511 1 21 1 2.1271 bmse011511 1 22 1 2.1267 bmse011511 1 23 1 2.1244 bmse011511 1 24 1 2.1192 bmse011511 1 25 1 2.1130 bmse011511 1 26 1 4.6500 bmse011511 1 27 1 3.1759 bmse011511 1 28 1 3.1907 bmse011511 1 29 1 3.2054 bmse011511 1 30 1 3.2200 bmse011511 1 31 1 3.2347 bmse011511 1 32 1 4.0424 bmse011511 1 33 1 4.0546 bmse011511 1 34 1 4.0669 bmse011511 1 35 1 4.0792 bmse011511 1 36 1 1.8110 bmse011511 1 37 1 1.7931 bmse011511 1 38 1 1.7876 bmse011511 1 39 1 1.7809 bmse011511 1 40 1 1.7736 bmse011511 1 41 1 1.7657 bmse011511 1 42 1 1.7610 bmse011511 1 43 1 1.7600 bmse011511 1 44 1 1.7478 bmse011511 1 45 1 1.7415 bmse011511 1 46 1 1.7329 bmse011511 1 47 1 1.3105 bmse011511 1 48 1 1.3228 bmse011511 1 49 1 1.3351 bmse011511 1 50 1 7.7868 bmse011511 1 51 1 7.4830 bmse011511 1 stop_ save_