######################### # 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 bmse011031 _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 bmse011031 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 bmse011031 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011031 1 2 bmse011031 1 3 bmse011031 1 4 bmse011031 1 5 bmse011031 1 6 bmse011031 1 7 bmse011031 1 8 bmse011031 1 9 bmse011031 1 10 bmse011031 1 11 bmse011031 1 12 bmse011031 1 13 bmse011031 1 14 bmse011031 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 4.1529 t_1H bmse011031 1 2 1 7.2770 m_4H bmse011031 1 3 1 7.9477 m_1H bmse011031 1 4 1 7.3504 t_2H bmse011031 1 5 1 7.1810 t_1H bmse011031 1 6 1 3.8704 s_2H bmse011031 1 7 1 1.0928 m_2H bmse011031 1 8 1 2.7168 Imp2 bmse011031 1 9 1 3.5680 q_1H bmse011031 1 10 1 2.6029 DMSO bmse011031 1 11 1 3.2697 s_2H bmse011031 1 12 1 2.4848 Imp1 bmse011031 1 13 1 3.1448 t_3H bmse011031 1 14 1 7.0732 t_1H_Q1 bmse011031 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 8.4730 bmse011031 1 2 2 1 8.6564 bmse011031 1 3 3 1 4.1265 bmse011031 1 4 4 1 7.4277 bmse011031 1 5 5 1 7.3176 bmse011031 1 6 6 1 0.0000 bmse011031 1 7 7 1 7.0975 bmse011031 1 8 8 1 0.0000 bmse011031 1 9 9 1 7.1159 bmse011031 1 10 10 1 1.8156 bmse011031 1 11 11 1 0.0000 bmse011031 1 12 12 1 0.0000 bmse011031 1 13 13 1 8.5280 bmse011031 1 14 14 1 7.2076 bmse011031 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011031 1 2 bmse011031 1 3 bmse011031 1 4 bmse011031 1 5 bmse011031 1 6 bmse011031 1 7 bmse011031 1 8 bmse011031 1 9 bmse011031 1 10 bmse011031 1 11 bmse011031 1 12 bmse011031 1 13 bmse011031 1 14 bmse011031 1 15 bmse011031 1 16 bmse011031 1 17 bmse011031 1 18 bmse011031 1 19 bmse011031 1 20 bmse011031 1 21 bmse011031 1 22 bmse011031 1 23 bmse011031 1 24 bmse011031 1 25 bmse011031 1 26 bmse011031 1 27 bmse011031 1 28 bmse011031 1 29 bmse011031 1 30 bmse011031 1 31 bmse011031 1 32 bmse011031 1 33 bmse011031 1 34 bmse011031 1 35 bmse011031 1 36 bmse011031 1 37 bmse011031 1 38 bmse011031 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 4.1388 bmse011031 1 2 1 4.1527 bmse011031 1 3 1 4.1670 bmse011031 1 4 1 7.2986 bmse011031 1 5 1 7.2863 bmse011031 1 6 1 7.2671 bmse011031 1 7 1 7.2553 bmse011031 1 8 1 7.9546 bmse011031 1 9 1 7.9486 bmse011031 1 10 1 7.9409 bmse011031 1 11 1 7.3380 bmse011031 1 12 1 7.3508 bmse011031 1 13 1 7.3628 bmse011031 1 14 1 7.1688 bmse011031 1 15 1 7.1811 bmse011031 1 16 1 7.1932 bmse011031 1 17 1 3.8704 bmse011031 1 18 1 1.1046 bmse011031 1 19 1 1.0927 bmse011031 1 20 1 1.0809 bmse011031 1 21 1 2.7168 bmse011031 1 22 1 3.5502 bmse011031 1 23 1 3.5622 bmse011031 1 24 1 3.5739 bmse011031 1 25 1 3.5858 bmse011031 1 26 1 2.5968 bmse011031 1 27 1 2.5998 bmse011031 1 28 1 2.6029 bmse011031 1 29 1 2.6060 bmse011031 1 30 1 2.6089 bmse011031 1 31 1 3.2697 bmse011031 1 32 1 2.4848 bmse011031 1 33 1 3.1306 bmse011031 1 34 1 3.1449 bmse011031 1 35 1 3.1590 bmse011031 1 36 1 7.0612 bmse011031 1 37 1 7.0733 bmse011031 1 38 1 7.0852 bmse011031 1 stop_ save_