######################### # 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 bmse011011 _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 bmse011011 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 bmse011011 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011011 1 2 bmse011011 1 3 bmse011011 1 4 bmse011011 1 5 bmse011011 1 6 bmse011011 1 7 bmse011011 1 8 bmse011011 1 9 bmse011011 1 10 bmse011011 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 2.7166 Imp2 bmse011011 1 2 1 3.4093 s_3H bmse011011 1 3 1 7.5263 t_1H bmse011011 1 4 1 2.6025 DMSO bmse011011 1 5 1 4.6500 SUP bmse011011 1 6 1 7.2822 m_1H bmse011011 1 7 1 2.0383 m_4H bmse011011 1 8 1 4.1722 s_1H_Q1 bmse011011 1 9 1 7.2088 d_1H bmse011011 1 10 1 7.3220 t_1H bmse011011 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 bmse011011 1 2 2 1 0.0000 bmse011011 1 3 3 1 1.8707 bmse011011 1 4 4 1 1.8707 bmse011011 1 5 5 1 0.0000 bmse011011 1 6 6 1 8.4730 bmse011011 1 7 7 1 3.5488 bmse011011 1 8 8 1 0.0000 bmse011011 1 9 9 1 7.7028 bmse011011 1 10 10 1 7.9779 bmse011011 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011011 1 2 bmse011011 1 3 bmse011011 1 4 bmse011011 1 5 bmse011011 1 6 bmse011011 1 7 bmse011011 1 8 bmse011011 1 9 bmse011011 1 10 bmse011011 1 11 bmse011011 1 12 bmse011011 1 13 bmse011011 1 14 bmse011011 1 15 bmse011011 1 16 bmse011011 1 17 bmse011011 1 18 bmse011011 1 19 bmse011011 1 20 bmse011011 1 21 bmse011011 1 22 bmse011011 1 23 bmse011011 1 24 bmse011011 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 2.7166 bmse011011 1 2 1 3.4093 bmse011011 1 3 1 7.5232 bmse011011 1 4 1 7.5263 bmse011011 1 5 1 7.5294 bmse011011 1 6 1 2.5963 bmse011011 1 7 1 2.5998 bmse011011 1 8 1 2.6027 bmse011011 1 9 1 2.6058 bmse011011 1 10 1 2.6088 bmse011011 1 11 1 4.6500 bmse011011 1 12 1 7.2751 bmse011011 1 13 1 7.2892 bmse011011 1 14 1 2.0501 bmse011011 1 15 1 2.0435 bmse011011 1 16 1 2.0384 bmse011011 1 17 1 2.0332 bmse011011 1 18 1 2.0265 bmse011011 1 19 1 4.1722 bmse011011 1 20 1 7.2023 bmse011011 1 21 1 7.2152 bmse011011 1 22 1 7.3087 bmse011011 1 23 1 7.3221 bmse011011 1 24 1 7.3353 bmse011011 1 stop_ save_