######################### # 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 bmse011615 _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 bmse011615 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 bmse011615 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011615 1 2 bmse011615 1 3 bmse011615 1 4 bmse011615 1 5 bmse011615 1 6 bmse011615 1 7 bmse011615 1 8 bmse011615 1 9 bmse011615 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 1.6069 m_2H bmse011615 1 2 1 3.3409 m_1H bmse011615 1 3 1 4.6500 SUP bmse011615 1 4 1 3.0946 s_1H bmse011615 1 5 1 1.4173 t_2H_Q1 bmse011615 1 6 1 0.3155 m_4H bmse011615 1 7 1 2.6027 DMSO bmse011615 1 8 1 3.2283 s_1H bmse011615 1 9 1 3.4902 m_1H bmse011615 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 3.6549 bmse011615 1 2 2 1 5.6120 bmse011615 1 3 3 1 0.0000 bmse011615 1 4 4 1 0.0000 bmse011615 1 5 5 1 5.7771 bmse011615 1 6 6 1 9.1210 bmse011615 1 7 7 1 1.9807 bmse011615 1 8 8 1 0.0000 bmse011615 1 9 9 1 5.6670 bmse011615 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011615 1 2 bmse011615 1 3 bmse011615 1 4 bmse011615 1 5 bmse011615 1 6 bmse011615 1 7 bmse011615 1 8 bmse011615 1 9 bmse011615 1 10 bmse011615 1 11 bmse011615 1 12 bmse011615 1 13 bmse011615 1 14 bmse011615 1 15 bmse011615 1 16 bmse011615 1 17 bmse011615 1 18 bmse011615 1 19 bmse011615 1 20 bmse011615 1 21 bmse011615 1 22 bmse011615 1 23 bmse011615 1 24 bmse011615 1 25 bmse011615 1 26 bmse011615 1 27 bmse011615 1 28 bmse011615 1 29 bmse011615 1 30 bmse011615 1 31 bmse011615 1 32 bmse011615 1 33 bmse011615 1 34 bmse011615 1 35 bmse011615 1 36 bmse011615 1 37 bmse011615 1 38 bmse011615 1 39 bmse011615 1 40 bmse011615 1 41 bmse011615 1 42 bmse011615 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 1.6495 bmse011615 1 2 1 1.6403 bmse011615 1 3 1 1.6398 bmse011615 1 4 1 1.6359 bmse011615 1 5 1 1.6302 bmse011615 1 6 1 1.6240 bmse011615 1 7 1 1.6211 bmse011615 1 8 1 1.6112 bmse011615 1 9 1 1.6029 bmse011615 1 10 1 1.5934 bmse011615 1 11 1 1.5892 bmse011615 1 12 1 1.5835 bmse011615 1 13 1 1.5769 bmse011615 1 14 1 1.5743 bmse011615 1 15 1 1.5642 bmse011615 1 16 1 3.3502 bmse011615 1 17 1 3.3409 bmse011615 1 18 1 3.3315 bmse011615 1 19 1 4.6500 bmse011615 1 20 1 3.0946 bmse011615 1 21 1 1.4077 bmse011615 1 22 1 1.4170 bmse011615 1 23 1 1.4269 bmse011615 1 24 1 0.3838 bmse011615 1 25 1 0.3760 bmse011615 1 26 1 0.3666 bmse011615 1 27 1 0.3582 bmse011615 1 28 1 0.3503 bmse011615 1 29 1 0.3116 bmse011615 1 30 1 0.3039 bmse011615 1 31 1 0.2636 bmse011615 1 32 1 0.2561 bmse011615 1 33 1 0.2471 bmse011615 1 34 1 2.5961 bmse011615 1 35 1 2.6000 bmse011615 1 36 1 2.6027 bmse011615 1 37 1 2.6060 bmse011615 1 38 1 2.6093 bmse011615 1 39 1 3.2283 bmse011615 1 40 1 3.4996 bmse011615 1 41 1 3.4903 bmse011615 1 42 1 3.4808 bmse011615 1 stop_ save_