######################### # 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 bmse011506 _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 bmse011506 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 bmse011506 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011506 1 2 bmse011506 1 4 bmse011506 1 5 bmse011506 1 6 bmse011506 1 7 bmse011506 1 8 bmse011506 1 9 bmse011506 1 10 bmse011506 1 11 bmse011506 1 13 bmse011506 1 14 bmse011506 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 1.0619 m_4H bmse011506 1 2 1 1.3218 dd_21H bmse011506 1 3 1 2.7168 Imp2 bmse011506 1 4 1 8.8600 s_2H bmse011506 1 5 1 2.6029 DMSO bmse011506 1 6 1 1.2042 m_12H bmse011506 1 7 1 3.7054 m_9H bmse011506 1 8 1 8.8361 s_1H bmse011506 1 9 1 2.4854 Imp1 bmse011506 1 10 1 3.2210 dd_1H bmse011506 1 11 1 4.0391 m_4H bmse011506 1 12 1 2.9837 dd_1H_Q1 bmse011506 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 6.1622 bmse011506 1 2 2 1 8.9682 bmse011506 1 3 2 1 6.9875 bmse011506 1 4 3 1 0.0000 bmse011506 1 5 4 1 0.0000 bmse011506 1 6 5 1 1.8156 bmse011506 1 7 6 1 6.3273 bmse011506 1 8 7 1 6.2172 bmse011506 1 9 8 1 0.0000 bmse011506 1 10 9 1 0.0000 bmse011506 1 11 10 1 13.8099 bmse011506 1 12 10 1 10.8389 bmse011506 1 13 11 1 3.9143 bmse011506 1 14 12 1 14.0300 bmse011506 1 15 12 1 11.0590 bmse011506 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011506 1 2 bmse011506 1 3 bmse011506 1 4 bmse011506 1 5 bmse011506 1 6 bmse011506 1 7 bmse011506 1 8 bmse011506 1 9 bmse011506 1 10 bmse011506 1 11 bmse011506 1 12 bmse011506 1 13 bmse011506 1 14 bmse011506 1 15 bmse011506 1 16 bmse011506 1 17 bmse011506 1 18 bmse011506 1 19 bmse011506 1 20 bmse011506 1 21 bmse011506 1 22 bmse011506 1 23 bmse011506 1 24 bmse011506 1 25 bmse011506 1 26 bmse011506 1 27 bmse011506 1 28 bmse011506 1 29 bmse011506 1 30 bmse011506 1 31 bmse011506 1 32 bmse011506 1 33 bmse011506 1 34 bmse011506 1 35 bmse011506 1 36 bmse011506 1 37 bmse011506 1 38 bmse011506 1 39 bmse011506 1 40 bmse011506 1 41 bmse011506 1 42 bmse011506 1 43 bmse011506 1 44 bmse011506 1 45 bmse011506 1 46 bmse011506 1 47 bmse011506 1 48 bmse011506 1 49 bmse011506 1 50 bmse011506 1 51 bmse011506 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 1.0670 bmse011506 1 2 1 1.0567 bmse011506 1 3 1 1.3351 bmse011506 1 4 1 1.3235 bmse011506 1 5 1 1.3202 bmse011506 1 6 1 1.3085 bmse011506 1 7 1 2.7168 bmse011506 1 8 1 8.8600 bmse011506 1 9 1 2.5968 bmse011506 1 10 1 2.5998 bmse011506 1 11 1 2.6029 bmse011506 1 12 1 2.6060 bmse011506 1 13 1 2.6089 bmse011506 1 14 1 1.2148 bmse011506 1 15 1 1.2043 bmse011506 1 16 1 1.1937 bmse011506 1 17 1 3.7882 bmse011506 1 18 1 3.7796 bmse011506 1 19 1 3.7750 bmse011506 1 20 1 3.7204 bmse011506 1 21 1 3.7147 bmse011506 1 22 1 3.7002 bmse011506 1 23 1 3.6949 bmse011506 1 24 1 3.6868 bmse011506 1 25 1 3.6826 bmse011506 1 26 1 3.6637 bmse011506 1 27 1 3.6599 bmse011506 1 28 1 3.6496 bmse011506 1 29 1 3.6432 bmse011506 1 30 1 3.6403 bmse011506 1 31 1 3.6361 bmse011506 1 32 1 3.6287 bmse011506 1 33 1 3.6225 bmse011506 1 34 1 8.8361 bmse011506 1 35 1 2.4854 bmse011506 1 36 1 3.2415 bmse011506 1 37 1 3.2233 bmse011506 1 38 1 3.2184 bmse011506 1 39 1 3.2004 bmse011506 1 40 1 4.0620 bmse011506 1 41 1 4.0592 bmse011506 1 42 1 4.0550 bmse011506 1 43 1 4.0493 bmse011506 1 44 1 4.0387 bmse011506 1 45 1 4.0341 bmse011506 1 46 1 4.0248 bmse011506 1 47 1 4.0163 bmse011506 1 48 1 3.0046 bmse011506 1 49 1 2.9863 bmse011506 1 50 1 2.9813 bmse011506 1 51 1 2.9628 bmse011506 1 stop_ save_