######################### # 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 bmse011635 _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 bmse011635 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 bmse011635 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011635 1 2 bmse011635 1 3 bmse011635 1 4 bmse011635 1 5 bmse011635 1 6 bmse011635 1 7 bmse011635 1 8 bmse011635 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 4.6500 SUP bmse011635 1 2 1 2.0246 s_1H bmse011635 1 3 1 3.0330 m_1H_Q1 bmse011635 1 4 1 2.7228 Imp2 bmse011635 1 5 1 2.0640 s_1H bmse011635 1 6 1 2.6026 DMSO bmse011635 1 7 1 1.9080 m_1H bmse011635 1 8 1 1.6698 m_2H bmse011635 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 bmse011635 1 2 2 1 0.0000 bmse011635 1 3 3 1 8.0429 bmse011635 1 4 4 1 0.0000 bmse011635 1 5 5 1 0.0000 bmse011635 1 6 6 1 1.9532 bmse011635 1 7 7 1 4.5850 bmse011635 1 8 8 1 6.9267 bmse011635 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011635 1 2 bmse011635 1 3 bmse011635 1 4 bmse011635 1 5 bmse011635 1 6 bmse011635 1 7 bmse011635 1 8 bmse011635 1 9 bmse011635 1 10 bmse011635 1 11 bmse011635 1 12 bmse011635 1 13 bmse011635 1 14 bmse011635 1 15 bmse011635 1 16 bmse011635 1 17 bmse011635 1 18 bmse011635 1 19 bmse011635 1 20 bmse011635 1 21 bmse011635 1 22 bmse011635 1 23 bmse011635 1 24 bmse011635 1 25 bmse011635 1 26 bmse011635 1 27 bmse011635 1 28 bmse011635 1 29 bmse011635 1 30 bmse011635 1 31 bmse011635 1 32 bmse011635 1 33 bmse011635 1 34 bmse011635 1 35 bmse011635 1 36 bmse011635 1 37 bmse011635 1 38 bmse011635 1 39 bmse011635 1 40 bmse011635 1 41 bmse011635 1 42 bmse011635 1 43 bmse011635 1 44 bmse011635 1 45 bmse011635 1 46 bmse011635 1 47 bmse011635 1 48 bmse011635 1 49 bmse011635 1 50 bmse011635 1 51 bmse011635 1 52 bmse011635 1 53 bmse011635 1 54 bmse011635 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 4.6500 bmse011635 1 2 1 2.0246 bmse011635 1 3 1 3.1067 bmse011635 1 4 1 3.1021 bmse011635 1 5 1 3.0851 bmse011635 1 6 1 3.0798 bmse011635 1 7 1 3.0702 bmse011635 1 8 1 3.0642 bmse011635 1 9 1 3.0578 bmse011635 1 10 1 3.0497 bmse011635 1 11 1 3.0002 bmse011635 1 12 1 2.9951 bmse011635 1 13 1 2.9821 bmse011635 1 14 1 2.9593 bmse011635 1 15 1 2.7228 bmse011635 1 16 1 2.0640 bmse011635 1 17 1 2.5961 bmse011635 1 18 1 2.6000 bmse011635 1 19 1 2.6027 bmse011635 1 20 1 2.6058 bmse011635 1 21 1 2.6091 bmse011635 1 22 1 1.9538 bmse011635 1 23 1 1.9344 bmse011635 1 24 1 1.9276 bmse011635 1 25 1 1.9153 bmse011635 1 26 1 1.9120 bmse011635 1 27 1 1.9051 bmse011635 1 28 1 1.8983 bmse011635 1 29 1 1.8921 bmse011635 1 30 1 1.8856 bmse011635 1 31 1 1.8851 bmse011635 1 32 1 1.8752 bmse011635 1 33 1 1.8680 bmse011635 1 34 1 1.8622 bmse011635 1 35 1 1.7795 bmse011635 1 36 1 1.7289 bmse011635 1 37 1 1.7223 bmse011635 1 38 1 1.7065 bmse011635 1 39 1 1.6992 bmse011635 1 40 1 1.6909 bmse011635 1 41 1 1.6880 bmse011635 1 42 1 1.6724 bmse011635 1 43 1 1.6693 bmse011635 1 44 1 1.6656 bmse011635 1 45 1 1.6354 bmse011635 1 46 1 1.6308 bmse011635 1 47 1 1.6231 bmse011635 1 48 1 1.6092 bmse011635 1 49 1 1.5993 bmse011635 1 50 1 1.5919 bmse011635 1 51 1 1.5802 bmse011635 1 52 1 1.5743 bmse011635 1 53 1 1.5674 bmse011635 1 54 1 1.5602 bmse011635 1 stop_ save_