######################### # 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 bmse011024 _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 bmse011024 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 bmse011024 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011024 1 2 bmse011024 1 3 bmse011024 1 4 bmse011024 1 5 bmse011024 1 6 bmse011024 1 7 bmse011024 1 8 bmse011024 1 9 bmse011024 1 10 bmse011024 1 11 bmse011024 1 12 bmse011024 1 13 bmse011024 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 1.0908 m_2H bmse011024 1 2 1 2.8987 m_2H bmse011024 1 3 1 2.7169 Imp2 bmse011024 1 4 1 3.2695 s_1H bmse011024 1 5 1 2.5021 s_4H bmse011024 1 6 1 1.8640 s_2H bmse011024 1 7 1 7.8721 m_2H bmse011024 1 8 1 2.6030 DMSO bmse011024 1 9 1 4.6500 SUP bmse011024 1 10 1 7.0319 m_2H bmse011024 1 11 1 3.5679 q_1H bmse011024 1 12 1 1.6416 m_2H_Q1 bmse011024 1 13 1 3.9161 d_2H bmse011024 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 4.0715 bmse011024 1 2 2 1 5.7771 bmse011024 1 3 3 1 0.0000 bmse011024 1 4 4 1 0.0000 bmse011024 1 5 5 1 0.0000 bmse011024 1 6 6 1 0.0000 bmse011024 1 7 7 1 9.0232 bmse011024 1 8 8 1 1.9532 bmse011024 1 9 9 1 0.0000 bmse011024 1 10 10 1 9.1333 bmse011024 1 11 11 1 7.0792 bmse011024 1 12 12 1 5.7661 bmse011024 1 13 13 1 13.3148 bmse011024 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011024 1 2 bmse011024 1 3 bmse011024 1 4 bmse011024 1 5 bmse011024 1 6 bmse011024 1 7 bmse011024 1 8 bmse011024 1 9 bmse011024 1 10 bmse011024 1 11 bmse011024 1 12 bmse011024 1 13 bmse011024 1 14 bmse011024 1 15 bmse011024 1 16 bmse011024 1 17 bmse011024 1 18 bmse011024 1 19 bmse011024 1 20 bmse011024 1 21 bmse011024 1 22 bmse011024 1 23 bmse011024 1 24 bmse011024 1 25 bmse011024 1 26 bmse011024 1 27 bmse011024 1 28 bmse011024 1 29 bmse011024 1 30 bmse011024 1 31 bmse011024 1 32 bmse011024 1 33 bmse011024 1 34 bmse011024 1 35 bmse011024 1 36 bmse011024 1 37 bmse011024 1 38 bmse011024 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 1.1044 bmse011024 1 2 1 1.0927 bmse011024 1 3 1 1.0877 bmse011024 1 4 1 1.0807 bmse011024 1 5 1 1.0773 bmse011024 1 6 1 2.9276 bmse011024 1 7 1 2.9157 bmse011024 1 8 1 2.9131 bmse011024 1 9 1 2.8946 bmse011024 1 10 1 2.8913 bmse011024 1 11 1 2.8737 bmse011024 1 12 1 2.8698 bmse011024 1 13 1 2.7169 bmse011024 1 14 1 3.2695 bmse011024 1 15 1 2.5021 bmse011024 1 16 1 1.8640 bmse011024 1 17 1 7.8796 bmse011024 1 18 1 7.8646 bmse011024 1 19 1 2.5965 bmse011024 1 20 1 2.6000 bmse011024 1 21 1 2.6029 bmse011024 1 22 1 2.6058 bmse011024 1 23 1 2.6095 bmse011024 1 24 1 4.6500 bmse011024 1 25 1 7.0243 bmse011024 1 26 1 7.0395 bmse011024 1 27 1 3.5502 bmse011024 1 28 1 3.5620 bmse011024 1 29 1 3.5739 bmse011024 1 30 1 3.5856 bmse011024 1 31 1 1.6656 bmse011024 1 32 1 1.6590 bmse011024 1 33 1 1.6449 bmse011024 1 34 1 1.6378 bmse011024 1 35 1 1.6233 bmse011024 1 36 1 1.6176 bmse011024 1 37 1 3.9050 bmse011024 1 38 1 3.9272 bmse011024 1 stop_ save_