######################### # 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 bmse011111 _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 bmse011111 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 bmse011111 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011111 1 2 bmse011111 1 3 bmse011111 1 4 bmse011111 1 5 bmse011111 1 7 bmse011111 1 8 bmse011111 1 9 bmse011111 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 3.8244 t_2H_Q1 bmse011111 1 2 1 4.6500 SUP bmse011111 1 3 1 2.6030 DMSO bmse011111 1 4 1 3.6654 m_6H bmse011111 1 5 1 7.1435 dd_1H bmse011111 1 6 1 1.9090 quint_2H bmse011111 1 7 1 7.6076 m_1H bmse011111 1 8 1 8.1083 d_1H bmse011111 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 5.1718 bmse011111 1 2 2 1 0.0000 bmse011111 1 3 3 1 1.9532 bmse011111 1 4 4 1 6.0155 bmse011111 1 5 5 1 9.0782 bmse011111 1 6 5 1 3.0261 bmse011111 1 7 6 1 5.8596 bmse011111 1 8 7 1 8.9132 bmse011111 1 9 8 1 2.9711 bmse011111 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011111 1 2 bmse011111 1 3 bmse011111 1 4 bmse011111 1 5 bmse011111 1 6 bmse011111 1 7 bmse011111 1 8 bmse011111 1 9 bmse011111 1 10 bmse011111 1 11 bmse011111 1 12 bmse011111 1 13 bmse011111 1 14 bmse011111 1 15 bmse011111 1 16 bmse011111 1 17 bmse011111 1 18 bmse011111 1 19 bmse011111 1 20 bmse011111 1 21 bmse011111 1 22 bmse011111 1 23 bmse011111 1 24 bmse011111 1 25 bmse011111 1 26 bmse011111 1 27 bmse011111 1 28 bmse011111 1 29 bmse011111 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 3.8157 bmse011111 1 2 1 3.8245 bmse011111 1 3 1 3.8330 bmse011111 1 4 1 4.6500 bmse011111 1 5 1 2.5965 bmse011111 1 6 1 2.6001 bmse011111 1 7 1 2.6029 bmse011111 1 8 1 2.6058 bmse011111 1 9 1 2.6095 bmse011111 1 10 1 3.6955 bmse011111 1 11 1 3.6861 bmse011111 1 12 1 3.6771 bmse011111 1 13 1 3.6687 bmse011111 1 14 1 3.6557 bmse011111 1 15 1 3.6456 bmse011111 1 16 1 3.6353 bmse011111 1 17 1 7.1536 bmse011111 1 18 1 7.1486 bmse011111 1 19 1 7.1385 bmse011111 1 20 1 7.1334 bmse011111 1 21 1 1.8895 bmse011111 1 22 1 1.8992 bmse011111 1 23 1 1.9089 bmse011111 1 24 1 1.9188 bmse011111 1 25 1 1.9285 bmse011111 1 26 1 7.6002 bmse011111 1 27 1 7.6151 bmse011111 1 28 1 8.1059 bmse011111 1 29 1 8.1108 bmse011111 1 stop_ save_