######################### # 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 bmse011003 _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 bmse011003 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 bmse011003 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011003 1 2 bmse011003 1 3 bmse011003 1 4 bmse011003 1 5 bmse011003 1 6 bmse011003 1 7 bmse011003 1 8 bmse011003 1 9 bmse011003 1 10 bmse011003 1 11 bmse011003 1 12 bmse011003 1 13 bmse011003 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 2.6028 DMSO bmse011003 1 2 1 2.4881 Imp1 bmse011003 1 3 1 7.5193 m_2H bmse011003 1 4 1 1.8873 m_2H bmse011003 1 5 1 3.5678 q_1H bmse011003 1 6 1 2.8024 s_1H_Q1 bmse011003 1 7 1 1.0906 m_2H bmse011003 1 8 1 1.5538 m_2H bmse011003 1 9 1 2.7162 Imp2 bmse011003 1 10 1 4.6500 SUP bmse011003 1 11 1 3.2694 s_1H bmse011003 1 12 1 1.6588 m_4H bmse011003 1 13 1 7.7516 m_2H bmse011003 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 1.9532 bmse011003 1 2 2 1 0.0000 bmse011003 1 3 3 1 8.3630 bmse011003 1 4 4 1 18.9268 bmse011003 1 5 5 1 7.1159 bmse011003 1 6 6 1 0.0000 bmse011003 1 7 7 1 4.0990 bmse011003 1 8 8 1 3.6313 bmse011003 1 9 9 1 0.0000 bmse011003 1 10 10 1 0.0000 bmse011003 1 11 11 1 0.0000 bmse011003 1 12 12 1 5.1352 bmse011003 1 13 13 1 8.4730 bmse011003 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011003 1 2 bmse011003 1 3 bmse011003 1 4 bmse011003 1 5 bmse011003 1 6 bmse011003 1 7 bmse011003 1 8 bmse011003 1 9 bmse011003 1 10 bmse011003 1 11 bmse011003 1 12 bmse011003 1 13 bmse011003 1 14 bmse011003 1 15 bmse011003 1 16 bmse011003 1 17 bmse011003 1 18 bmse011003 1 19 bmse011003 1 20 bmse011003 1 21 bmse011003 1 22 bmse011003 1 23 bmse011003 1 24 bmse011003 1 25 bmse011003 1 26 bmse011003 1 27 bmse011003 1 28 bmse011003 1 29 bmse011003 1 30 bmse011003 1 31 bmse011003 1 32 bmse011003 1 33 bmse011003 1 34 bmse011003 1 35 bmse011003 1 36 bmse011003 1 37 bmse011003 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 bmse011003 1 2 1 2.5998 bmse011003 1 3 1 2.6029 bmse011003 1 4 1 2.6056 bmse011003 1 5 1 2.6093 bmse011003 1 6 1 2.4881 bmse011003 1 7 1 7.5124 bmse011003 1 8 1 7.5263 bmse011003 1 9 1 1.9031 bmse011003 1 10 1 1.8715 bmse011003 1 11 1 3.5501 bmse011003 1 12 1 3.5620 bmse011003 1 13 1 3.5737 bmse011003 1 14 1 3.5856 bmse011003 1 15 1 2.8024 bmse011003 1 16 1 1.1042 bmse011003 1 17 1 1.0925 bmse011003 1 18 1 1.0875 bmse011003 1 19 1 1.0806 bmse011003 1 20 1 1.0769 bmse011003 1 21 1 1.5659 bmse011003 1 22 1 1.5637 bmse011003 1 23 1 1.5545 bmse011003 1 24 1 1.5461 bmse011003 1 25 1 1.5417 bmse011003 1 26 1 2.7162 bmse011003 1 27 1 4.6500 bmse011003 1 28 1 3.2694 bmse011003 1 29 1 1.6845 bmse011003 1 30 1 1.6796 bmse011003 1 31 1 1.6755 bmse011003 1 32 1 1.6568 bmse011003 1 33 1 1.6493 bmse011003 1 34 1 1.6405 bmse011003 1 35 1 1.6332 bmse011003 1 36 1 7.7445 bmse011003 1 37 1 7.7586 bmse011003 1 stop_ save_