######################### # 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 bmse011103 _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 bmse011103 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 bmse011103 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011103 1 2 bmse011103 1 3 bmse011103 1 4 bmse011103 1 5 bmse011103 1 6 bmse011103 1 7 bmse011103 1 8 bmse011103 1 9 bmse011103 1 10 bmse011103 1 11 bmse011103 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 3.2699 s_2H bmse011103 1 2 1 2.8863 s_1H bmse011103 1 3 1 6.5309 m_6H bmse011103 1 4 1 1.0926 m_3H bmse011103 1 5 1 1.4029 m_3H bmse011103 1 6 1 2.6032 DMSO bmse011103 1 7 1 3.5683 m_2H bmse011103 1 8 1 2.7223 Imp2 bmse011103 1 9 1 4.1744 q_4H bmse011103 1 10 1 3.0066 s_1H_Q1 bmse011103 1 11 1 2.6337 m_4H bmse011103 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 bmse011103 1 2 2 1 0.0000 bmse011103 1 3 3 1 0.0000 bmse011103 1 4 4 1 7.0975 bmse011103 1 5 5 1 6.7124 bmse011103 1 6 6 1 1.8982 bmse011103 1 7 7 1 5.3094 bmse011103 1 8 8 1 0.0000 bmse011103 1 9 9 1 7.1892 bmse011103 1 10 10 1 0.0000 bmse011103 1 11 11 1 0.0000 bmse011103 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011103 1 2 bmse011103 1 3 bmse011103 1 4 bmse011103 1 5 bmse011103 1 6 bmse011103 1 7 bmse011103 1 8 bmse011103 1 9 bmse011103 1 10 bmse011103 1 11 bmse011103 1 12 bmse011103 1 13 bmse011103 1 14 bmse011103 1 15 bmse011103 1 16 bmse011103 1 17 bmse011103 1 18 bmse011103 1 19 bmse011103 1 20 bmse011103 1 21 bmse011103 1 22 bmse011103 1 23 bmse011103 1 24 bmse011103 1 25 bmse011103 1 26 bmse011103 1 27 bmse011103 1 28 bmse011103 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 3.2699 bmse011103 1 2 1 2.8863 bmse011103 1 3 1 6.5309 bmse011103 1 4 1 1.1044 bmse011103 1 5 1 1.0925 bmse011103 1 6 1 1.0807 bmse011103 1 7 1 1.4253 bmse011103 1 8 1 1.3963 bmse011103 1 9 1 1.3928 bmse011103 1 10 1 1.3847 bmse011103 1 11 1 1.3805 bmse011103 1 12 1 2.5968 bmse011103 1 13 1 2.6000 bmse011103 1 14 1 2.6029 bmse011103 1 15 1 2.6060 bmse011103 1 16 1 2.6095 bmse011103 1 17 1 3.5860 bmse011103 1 18 1 3.5811 bmse011103 1 19 1 3.5743 bmse011103 1 20 1 3.5623 bmse011103 1 21 1 3.5506 bmse011103 1 22 1 2.7223 bmse011103 1 23 1 4.1564 bmse011103 1 24 1 4.1683 bmse011103 1 25 1 4.1804 bmse011103 1 26 1 4.1923 bmse011103 1 27 1 3.0066 bmse011103 1 28 1 2.6337 bmse011103 1 stop_ save_