######################### # 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 bmse011004 _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 bmse011004 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 bmse011004 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011004 1 2 bmse011004 1 3 bmse011004 1 4 bmse011004 1 5 bmse011004 1 6 bmse011004 1 7 bmse011004 1 8 bmse011004 1 9 bmse011004 1 10 bmse011004 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 2.6029 DMSO bmse011004 1 2 1 7.5086 m_2H bmse011004 1 3 1 2.7169 Imp2 bmse011004 1 4 1 1.1448 t_3H bmse011004 1 5 1 8.7230 m_1H bmse011004 1 6 1 1.0907 m_2H bmse011004 1 7 1 3.2694 s_1H bmse011004 1 8 1 2.4857 Imp1 bmse011004 1 9 1 3.5677 q_1H bmse011004 1 10 1 7.3007 m_2H_Q1 bmse011004 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 1.9807 bmse011004 1 2 2 1 8.0329 bmse011004 1 3 3 1 0.0000 bmse011004 1 4 4 1 7.6477 bmse011004 1 5 5 1 1.5406 bmse011004 1 6 6 1 4.0439 bmse011004 1 7 7 1 0.0000 bmse011004 1 8 8 1 0.0000 bmse011004 1 9 9 1 7.0425 bmse011004 1 10 10 1 8.0329 bmse011004 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011004 1 2 bmse011004 1 3 bmse011004 1 4 bmse011004 1 5 bmse011004 1 6 bmse011004 1 7 bmse011004 1 8 bmse011004 1 9 bmse011004 1 10 bmse011004 1 11 bmse011004 1 12 bmse011004 1 13 bmse011004 1 14 bmse011004 1 15 bmse011004 1 16 bmse011004 1 17 bmse011004 1 18 bmse011004 1 19 bmse011004 1 20 bmse011004 1 21 bmse011004 1 22 bmse011004 1 23 bmse011004 1 24 bmse011004 1 25 bmse011004 1 26 bmse011004 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 bmse011004 1 2 1 2.6001 bmse011004 1 3 1 2.6029 bmse011004 1 4 1 2.6062 bmse011004 1 5 1 2.6095 bmse011004 1 6 1 7.5019 bmse011004 1 7 1 7.5153 bmse011004 1 8 1 2.7169 bmse011004 1 9 1 1.1321 bmse011004 1 10 1 1.1447 bmse011004 1 11 1 1.1576 bmse011004 1 12 1 8.7243 bmse011004 1 13 1 8.7217 bmse011004 1 14 1 1.1042 bmse011004 1 15 1 1.0925 bmse011004 1 16 1 1.0875 bmse011004 1 17 1 1.0806 bmse011004 1 18 1 1.0773 bmse011004 1 19 1 3.2694 bmse011004 1 20 1 2.4857 bmse011004 1 21 1 3.5501 bmse011004 1 22 1 3.5618 bmse011004 1 23 1 3.5737 bmse011004 1 24 1 3.5853 bmse011004 1 25 1 7.2940 bmse011004 1 26 1 7.3074 bmse011004 1 stop_ save_