######################### # 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 bmse011001 _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 bmse011001 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 bmse011001 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011001 1 2 bmse011001 1 3 bmse011001 1 4 bmse011001 1 5 bmse011001 1 6 bmse011001 1 7 bmse011001 1 8 bmse011001 1 9 bmse011001 1 10 bmse011001 1 11 bmse011001 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 2.5769 DMSO bmse011001 1 2 1 3.5617 m_2H bmse011001 1 3 1 7.2883 s_2H bmse011001 1 4 1 3.2677 s_2H bmse011001 1 5 1 2.7180 Imp2 bmse011001 1 6 1 1.0909 t_3H_Q1 bmse011001 1 7 1 7.3900 m_1H bmse011001 1 8 1 6.8681 s_1H bmse011001 1 9 1 2.4874 Imp1 bmse011001 1 10 1 7.5100 s_1H bmse011001 1 11 1 7.7395 m_1H bmse011001 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 bmse011001 1 2 2 1 4.0439 bmse011001 1 3 3 1 0.0000 bmse011001 1 4 4 1 0.0000 bmse011001 1 5 5 1 0.0000 bmse011001 1 6 6 1 7.0975 bmse011001 1 7 7 1 4.5666 bmse011001 1 8 8 1 0.0000 bmse011001 1 9 9 1 0.0000 bmse011001 1 10 10 1 0.0000 bmse011001 1 11 11 1 4.5116 bmse011001 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011001 1 2 bmse011001 1 3 bmse011001 1 4 bmse011001 1 5 bmse011001 1 6 bmse011001 1 7 bmse011001 1 8 bmse011001 1 9 bmse011001 1 10 bmse011001 1 11 bmse011001 1 12 bmse011001 1 13 bmse011001 1 14 bmse011001 1 15 bmse011001 1 16 bmse011001 1 17 bmse011001 1 18 bmse011001 1 19 bmse011001 1 20 bmse011001 1 21 bmse011001 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 2.5769 bmse011001 1 2 1 3.5752 bmse011001 1 3 1 3.5717 bmse011001 1 4 1 3.5631 bmse011001 1 5 1 3.5601 bmse011001 1 6 1 3.5482 bmse011001 1 7 1 7.2883 bmse011001 1 8 1 3.2677 bmse011001 1 9 1 2.7180 bmse011001 1 10 1 1.0791 bmse011001 1 11 1 1.0908 bmse011001 1 12 1 1.1027 bmse011001 1 13 1 7.3976 bmse011001 1 14 1 7.3947 bmse011001 1 15 1 7.3824 bmse011001 1 16 1 6.8681 bmse011001 1 17 1 2.4874 bmse011001 1 18 1 7.5100 bmse011001 1 19 1 7.7471 bmse011001 1 20 1 7.7432 bmse011001 1 21 1 7.7320 bmse011001 1 stop_ save_