######################### # 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 bmse011554 _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 bmse011554 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 bmse011554 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011554 1 2 bmse011554 1 3 bmse011554 1 4 bmse011554 1 5 bmse011554 1 6 bmse011554 1 7 bmse011554 1 8 bmse011554 1 9 bmse011554 1 11 bmse011554 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 8.2784 s_1H bmse011554 1 2 1 3.1766 s_6H_Q1 bmse011554 1 3 1 4.6500 SUP bmse011554 1 4 1 1.5751 m_2H bmse011554 1 5 1 2.7208 Imp2 bmse011554 1 6 1 3.7404 m_6H bmse011554 1 7 1 2.6028 DMSO bmse011554 1 8 1 1.9901 m_1H bmse011554 1 9 1 3.4533 dd_2H bmse011554 1 10 1 8.1526 s_1H bmse011554 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 0.0000 bmse011554 1 2 2 1 0.0000 bmse011554 1 3 3 1 0.0000 bmse011554 1 4 4 1 6.8885 bmse011554 1 5 5 1 0.0000 bmse011554 1 6 6 1 6.1255 bmse011554 1 7 7 1 1.9532 bmse011554 1 8 8 1 3.7413 bmse011554 1 9 9 1 8.6381 bmse011554 1 10 9 1 5.9971 bmse011554 1 11 10 1 0.0000 bmse011554 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011554 1 2 bmse011554 1 3 bmse011554 1 4 bmse011554 1 5 bmse011554 1 6 bmse011554 1 7 bmse011554 1 8 bmse011554 1 9 bmse011554 1 10 bmse011554 1 11 bmse011554 1 12 bmse011554 1 13 bmse011554 1 14 bmse011554 1 15 bmse011554 1 16 bmse011554 1 17 bmse011554 1 18 bmse011554 1 19 bmse011554 1 20 bmse011554 1 21 bmse011554 1 22 bmse011554 1 23 bmse011554 1 24 bmse011554 1 25 bmse011554 1 26 bmse011554 1 27 bmse011554 1 28 bmse011554 1 29 bmse011554 1 30 bmse011554 1 31 bmse011554 1 32 bmse011554 1 33 bmse011554 1 34 bmse011554 1 35 bmse011554 1 36 bmse011554 1 37 bmse011554 1 38 bmse011554 1 39 bmse011554 1 40 bmse011554 1 41 bmse011554 1 42 bmse011554 1 43 bmse011554 1 44 bmse011554 1 45 bmse011554 1 46 bmse011554 1 47 bmse011554 1 48 bmse011554 1 49 bmse011554 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 8.2784 bmse011554 1 2 1 3.1766 bmse011554 1 3 1 4.6500 bmse011554 1 4 1 1.6038 bmse011554 1 5 1 1.5919 bmse011554 1 6 1 1.5798 bmse011554 1 7 1 1.5705 bmse011554 1 8 1 1.5584 bmse011554 1 9 1 1.5464 bmse011554 1 10 1 2.7208 bmse011554 1 11 1 3.8322 bmse011554 1 12 1 3.8231 bmse011554 1 13 1 3.8185 bmse011554 1 14 1 3.8095 bmse011554 1 15 1 3.8049 bmse011554 1 16 1 3.7957 bmse011554 1 17 1 3.7728 bmse011554 1 18 1 3.7609 bmse011554 1 19 1 3.7587 bmse011554 1 20 1 3.7466 bmse011554 1 21 1 3.7334 bmse011554 1 22 1 3.7224 bmse011554 1 23 1 3.7099 bmse011554 1 24 1 3.7006 bmse011554 1 25 1 3.6861 bmse011554 1 26 1 3.6757 bmse011554 1 27 1 3.6729 bmse011554 1 28 1 3.6619 bmse011554 1 29 1 3.6485 bmse011554 1 30 1 2.5963 bmse011554 1 31 1 2.6000 bmse011554 1 32 1 2.6029 bmse011554 1 33 1 2.6056 bmse011554 1 34 1 2.6093 bmse011554 1 35 1 2.0182 bmse011554 1 36 1 2.0089 bmse011554 1 37 1 2.0050 bmse011554 1 38 1 1.9964 bmse011554 1 39 1 1.9922 bmse011554 1 40 1 1.9878 bmse011554 1 41 1 1.9839 bmse011554 1 42 1 1.9751 bmse011554 1 43 1 1.9713 bmse011554 1 44 1 1.9621 bmse011554 1 45 1 3.4655 bmse011554 1 46 1 3.4555 bmse011554 1 47 1 3.4511 bmse011554 1 48 1 3.4412 bmse011554 1 49 1 8.1526 bmse011554 1 stop_ save_