######################### # 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 bmse011551 _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 bmse011551 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 bmse011551 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011551 1 2 bmse011551 1 3 bmse011551 1 4 bmse011551 1 5 bmse011551 1 6 bmse011551 1 8 bmse011551 1 9 bmse011551 1 10 bmse011551 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 2.6025 DMSO bmse011551 1 2 1 2.4821 Imp1 bmse011551 1 3 1 4.6500 SUP bmse011551 1 4 1 1.9125 m_1H_Q1 bmse011551 1 5 1 0.7340 t_3H bmse011551 1 6 1 8.5624 dd_2H bmse011551 1 7 1 2.7164 Imp2 bmse011551 1 8 1 2.0829 m_1H bmse011551 1 9 1 7.4334 m_2H bmse011551 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 1.8707 bmse011551 1 2 2 1 0.0000 bmse011551 1 3 3 1 0.0000 bmse011551 1 4 4 1 3.8422 bmse011551 1 5 5 1 7.4827 bmse011551 1 6 6 1 4.6767 bmse011551 1 7 6 1 1.4855 bmse011551 1 8 7 1 0.0000 bmse011551 1 9 8 1 4.4616 bmse011551 1 10 9 1 2.0541 bmse011551 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011551 1 2 bmse011551 1 3 bmse011551 1 4 bmse011551 1 5 bmse011551 1 6 bmse011551 1 7 bmse011551 1 8 bmse011551 1 9 bmse011551 1 10 bmse011551 1 11 bmse011551 1 12 bmse011551 1 13 bmse011551 1 14 bmse011551 1 15 bmse011551 1 16 bmse011551 1 17 bmse011551 1 18 bmse011551 1 19 bmse011551 1 20 bmse011551 1 21 bmse011551 1 22 bmse011551 1 23 bmse011551 1 24 bmse011551 1 25 bmse011551 1 26 bmse011551 1 27 bmse011551 1 28 bmse011551 1 29 bmse011551 1 30 bmse011551 1 31 bmse011551 1 32 bmse011551 1 33 bmse011551 1 34 bmse011551 1 35 bmse011551 1 36 bmse011551 1 37 bmse011551 1 38 bmse011551 1 39 bmse011551 1 40 bmse011551 1 41 bmse011551 1 42 bmse011551 1 43 bmse011551 1 44 bmse011551 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 2.5963 bmse011551 1 2 1 2.5998 bmse011551 1 3 1 2.6027 bmse011551 1 4 1 2.6058 bmse011551 1 5 1 2.6088 bmse011551 1 6 1 2.4821 bmse011551 1 7 1 4.6500 bmse011551 1 8 1 1.9509 bmse011551 1 9 1 1.9384 bmse011551 1 10 1 1.9339 bmse011551 1 11 1 1.9260 bmse011551 1 12 1 1.9212 bmse011551 1 13 1 1.9159 bmse011551 1 14 1 1.9137 bmse011551 1 15 1 1.9089 bmse011551 1 16 1 1.9036 bmse011551 1 17 1 1.8988 bmse011551 1 18 1 1.8913 bmse011551 1 19 1 1.8866 bmse011551 1 20 1 1.8741 bmse011551 1 21 1 0.7216 bmse011551 1 22 1 0.7340 bmse011551 1 23 1 0.7465 bmse011551 1 24 1 8.5675 bmse011551 1 25 1 8.5652 bmse011551 1 26 1 8.5598 bmse011551 1 27 1 8.5573 bmse011551 1 28 1 2.7164 bmse011551 1 29 1 2.1238 bmse011551 1 30 1 2.1102 bmse011551 1 31 1 2.1016 bmse011551 1 32 1 2.0976 bmse011551 1 33 1 2.0890 bmse011551 1 34 1 2.0853 bmse011551 1 35 1 2.0756 bmse011551 1 36 1 2.0670 bmse011551 1 37 1 2.0629 bmse011551 1 38 1 2.0545 bmse011551 1 39 1 2.0505 bmse011551 1 40 1 2.0420 bmse011551 1 41 1 7.4385 bmse011551 1 42 1 7.4361 bmse011551 1 43 1 7.4308 bmse011551 1 44 1 7.4282 bmse011551 1 stop_ save_