######################### # 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 bmse011172 _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 bmse011172 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 bmse011172 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011172 1 2 bmse011172 1 3 bmse011172 1 4 bmse011172 1 5 bmse011172 1 6 bmse011172 1 7 bmse011172 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 4.6500 SUP bmse011172 1 2 1 3.2536 m_3H bmse011172 1 3 1 3.5353 m_3H bmse011172 1 4 1 2.0609 quint_3H_Q1 bmse011172 1 5 1 3.3362 m_3H bmse011172 1 6 1 2.6030 DMSO bmse011172 1 7 1 3.4332 t_3H bmse011172 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 bmse011172 1 2 2 1 4.8417 bmse011172 1 3 3 1 4.8968 bmse011172 1 4 4 1 5.7220 bmse011172 1 5 5 1 3.2645 bmse011172 1 6 6 1 1.8432 bmse011172 1 7 7 1 6.1072 bmse011172 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011172 1 2 bmse011172 1 3 bmse011172 1 4 bmse011172 1 5 bmse011172 1 6 bmse011172 1 7 bmse011172 1 8 bmse011172 1 9 bmse011172 1 10 bmse011172 1 11 bmse011172 1 12 bmse011172 1 13 bmse011172 1 14 bmse011172 1 15 bmse011172 1 16 bmse011172 1 17 bmse011172 1 18 bmse011172 1 19 bmse011172 1 20 bmse011172 1 21 bmse011172 1 22 bmse011172 1 23 bmse011172 1 24 bmse011172 1 25 bmse011172 1 26 bmse011172 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 4.6500 bmse011172 1 2 1 3.2697 bmse011172 1 3 1 3.2554 bmse011172 1 4 1 3.2464 bmse011172 1 5 1 3.2430 bmse011172 1 6 1 3.2375 bmse011172 1 7 1 3.5435 bmse011172 1 8 1 3.5356 bmse011172 1 9 1 3.5271 bmse011172 1 10 1 2.0419 bmse011172 1 11 1 2.0518 bmse011172 1 12 1 2.0609 bmse011172 1 13 1 2.0701 bmse011172 1 14 1 2.0800 bmse011172 1 15 1 3.3443 bmse011172 1 16 1 3.3392 bmse011172 1 17 1 3.3361 bmse011172 1 18 1 3.3280 bmse011172 1 19 1 2.5968 bmse011172 1 20 1 2.6000 bmse011172 1 21 1 2.6031 bmse011172 1 22 1 2.6060 bmse011172 1 23 1 2.6091 bmse011172 1 24 1 3.4230 bmse011172 1 25 1 3.4333 bmse011172 1 26 1 3.4434 bmse011172 1 stop_ save_