######################### # 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 bmse011234 _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 bmse011234 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 bmse011234 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011234 1 2 bmse011234 1 3 bmse011234 1 4 bmse011234 1 5 bmse011234 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 1.1779 m_3H_Q1 bmse011234 1 2 1 3.7204 m_2H bmse011234 1 3 1 1.1460 m_3H bmse011234 1 4 1 3.4504 m_6H bmse011234 1 5 1 2.6028 DMSO bmse011234 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 bmse011234 1 2 2 1 5.1498 bmse011234 1 3 3 1 0.0000 bmse011234 1 4 4 1 11.1384 bmse011234 1 5 5 1 1.9532 bmse011234 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011234 1 2 bmse011234 1 3 bmse011234 1 4 bmse011234 1 5 bmse011234 1 6 bmse011234 1 7 bmse011234 1 8 bmse011234 1 9 bmse011234 1 10 bmse011234 1 11 bmse011234 1 12 bmse011234 1 13 bmse011234 1 14 bmse011234 1 15 bmse011234 1 16 bmse011234 1 17 bmse011234 1 18 bmse011234 1 19 bmse011234 1 20 bmse011234 1 21 bmse011234 1 22 bmse011234 1 23 bmse011234 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 1.1779 bmse011234 1 2 1 3.7418 bmse011234 1 3 1 3.7340 bmse011234 1 4 1 3.7252 bmse011234 1 5 1 3.7160 bmse011234 1 6 1 3.7077 bmse011234 1 7 1 3.6989 bmse011234 1 8 1 1.1460 bmse011234 1 9 1 3.5339 bmse011234 1 10 1 3.5249 bmse011234 1 11 1 3.5165 bmse011234 1 12 1 3.5114 bmse011234 1 13 1 3.5026 bmse011234 1 14 1 3.4947 bmse011234 1 15 1 3.4551 bmse011234 1 16 1 3.4379 bmse011234 1 17 1 3.3946 bmse011234 1 18 1 3.3669 bmse011234 1 19 1 2.5963 bmse011234 1 20 1 2.6000 bmse011234 1 21 1 2.6027 bmse011234 1 22 1 2.6055 bmse011234 1 23 1 2.6093 bmse011234 1 stop_ save_