######################### # 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 bmse011119 _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 bmse011119 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 bmse011119 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011119 1 2 bmse011119 1 3 bmse011119 1 4 bmse011119 1 5 bmse011119 1 6 bmse011119 1 7 bmse011119 1 9 bmse011119 1 10 bmse011119 1 11 bmse011119 1 13 bmse011119 1 14 bmse011119 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 2.6030 DMSO bmse011119 1 2 1 4.6500 SUP bmse011119 1 3 1 1.9233 15_m bmse011119 1 4 1 3.7778 13_s bmse011119 1 5 1 3.6006 7_m bmse011119 1 6 1 3.3465 11_m bmse011119 1 7 1 3.4775 11_dd bmse011119 1 8 1 1.7151 16_m bmse011119 1 9 1 2.9692 14_m_Q2 bmse011119 1 10 1 3.0727 14_dd_Q3 bmse011119 1 11 1 2.0312 15_m_Q1 bmse011119 1 12 1 7.9605 5_s bmse011119 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 1.9532 bmse011119 1 2 2 1 0.0000 bmse011119 1 3 3 1 3.5763 bmse011119 1 4 4 1 0.0000 bmse011119 1 5 5 1 4.6106 bmse011119 1 6 6 1 6.4373 bmse011119 1 7 7 1 12.3794 bmse011119 1 8 7 1 3.4662 bmse011119 1 9 8 1 117.0901 bmse011119 1 10 9 1 5.6340 bmse011119 1 11 10 1 11.9393 bmse011119 1 12 10 1 11.9393 bmse011119 1 13 11 1 5.1498 bmse011119 1 14 12 1 0.0000 bmse011119 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011119 1 2 bmse011119 1 3 bmse011119 1 4 bmse011119 1 5 bmse011119 1 6 bmse011119 1 7 bmse011119 1 8 bmse011119 1 9 bmse011119 1 10 bmse011119 1 11 bmse011119 1 12 bmse011119 1 13 bmse011119 1 14 bmse011119 1 15 bmse011119 1 16 bmse011119 1 17 bmse011119 1 18 bmse011119 1 19 bmse011119 1 20 bmse011119 1 21 bmse011119 1 22 bmse011119 1 23 bmse011119 1 24 bmse011119 1 25 bmse011119 1 26 bmse011119 1 27 bmse011119 1 28 bmse011119 1 29 bmse011119 1 30 bmse011119 1 31 bmse011119 1 32 bmse011119 1 33 bmse011119 1 34 bmse011119 1 35 bmse011119 1 36 bmse011119 1 37 bmse011119 1 38 bmse011119 1 39 bmse011119 1 40 bmse011119 1 41 bmse011119 1 42 bmse011119 1 43 bmse011119 1 44 bmse011119 1 45 bmse011119 1 46 bmse011119 1 47 bmse011119 1 48 bmse011119 1 49 bmse011119 1 50 bmse011119 1 51 bmse011119 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 2.5965 bmse011119 1 2 1 2.6000 bmse011119 1 3 1 2.6029 bmse011119 1 4 1 2.6058 bmse011119 1 5 1 2.6095 bmse011119 1 6 1 4.6500 bmse011119 1 7 1 1.9412 bmse011119 1 8 1 1.9353 bmse011119 1 9 1 1.9289 bmse011119 1 10 1 1.9232 bmse011119 1 11 1 1.9172 bmse011119 1 12 1 1.9113 bmse011119 1 13 1 1.9054 bmse011119 1 14 1 3.7778 bmse011119 1 15 1 3.6390 bmse011119 1 16 1 3.6328 bmse011119 1 17 1 3.6265 bmse011119 1 18 1 3.6201 bmse011119 1 19 1 3.6141 bmse011119 1 20 1 3.6080 bmse011119 1 21 1 3.6016 bmse011119 1 22 1 3.5955 bmse011119 1 23 1 3.5893 bmse011119 1 24 1 3.5739 bmse011119 1 25 1 3.5622 bmse011119 1 26 1 3.3572 bmse011119 1 27 1 3.3515 bmse011119 1 28 1 3.3357 bmse011119 1 29 1 3.4907 bmse011119 1 30 1 3.4842 bmse011119 1 31 1 3.4694 bmse011119 1 32 1 3.4643 bmse011119 1 33 1 1.8127 bmse011119 1 34 1 1.6176 bmse011119 1 35 1 2.9927 bmse011119 1 36 1 2.9872 bmse011119 1 37 1 2.9720 bmse011119 1 38 1 2.9665 bmse011119 1 39 1 2.9513 bmse011119 1 40 1 2.9458 bmse011119 1 41 1 3.0926 bmse011119 1 42 1 3.0728 bmse011119 1 43 1 3.0728 bmse011119 1 44 1 3.0528 bmse011119 1 45 1 2.0527 bmse011119 1 46 1 2.0376 bmse011119 1 47 1 2.0325 bmse011119 1 48 1 2.0235 bmse011119 1 49 1 2.0156 bmse011119 1 50 1 2.0098 bmse011119 1 51 1 7.9605 bmse011119 1 stop_ save_