######################### # 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 bmse011600 _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 bmse011600 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 bmse011600 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011600 1 2 bmse011600 1 3 bmse011600 1 4 bmse011600 1 6 bmse011600 1 7 bmse011600 1 8 bmse011600 1 9 bmse011600 1 10 bmse011600 1 11 bmse011600 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 1.9012 m_1H_Q1 bmse011600 1 2 1 0.7899 m_2H bmse011600 1 3 1 2.6022 DMSO bmse011600 1 4 1 2.4374 Imp1 bmse011600 1 5 1 2.7146 Imp2 bmse011600 1 6 1 1.9939 m_3H bmse011600 1 7 1 3.7453 m_12H bmse011600 1 8 1 1.5442 m_4H bmse011600 1 9 1 3.4431 m_4H bmse011600 1 10 1 3.1370 m_6H bmse011600 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 bmse011600 1 2 2 1 5.6854 bmse011600 1 3 3 1 0.0000 bmse011600 1 4 4 1 14.4702 bmse011600 1 5 4 1 7.4277 bmse011600 1 6 5 1 0.0000 bmse011600 1 7 6 1 5.3232 bmse011600 1 8 7 1 7.3626 bmse011600 1 9 8 1 9.0966 bmse011600 1 10 9 1 5.5142 bmse011600 1 11 10 1 6.1897 bmse011600 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011600 1 2 bmse011600 1 3 bmse011600 1 4 bmse011600 1 5 bmse011600 1 6 bmse011600 1 7 bmse011600 1 8 bmse011600 1 9 bmse011600 1 10 bmse011600 1 11 bmse011600 1 12 bmse011600 1 13 bmse011600 1 14 bmse011600 1 15 bmse011600 1 16 bmse011600 1 17 bmse011600 1 18 bmse011600 1 19 bmse011600 1 20 bmse011600 1 21 bmse011600 1 22 bmse011600 1 23 bmse011600 1 24 bmse011600 1 25 bmse011600 1 26 bmse011600 1 27 bmse011600 1 28 bmse011600 1 29 bmse011600 1 30 bmse011600 1 31 bmse011600 1 32 bmse011600 1 33 bmse011600 1 34 bmse011600 1 35 bmse011600 1 36 bmse011600 1 37 bmse011600 1 38 bmse011600 1 39 bmse011600 1 40 bmse011600 1 41 bmse011600 1 42 bmse011600 1 43 bmse011600 1 44 bmse011600 1 45 bmse011600 1 46 bmse011600 1 47 bmse011600 1 48 bmse011600 1 49 bmse011600 1 50 bmse011600 1 51 bmse011600 1 52 bmse011600 1 53 bmse011600 1 54 bmse011600 1 55 bmse011600 1 56 bmse011600 1 57 bmse011600 1 58 bmse011600 1 59 bmse011600 1 60 bmse011600 1 61 bmse011600 1 62 bmse011600 1 63 bmse011600 1 64 bmse011600 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 1.9012 bmse011600 1 2 1 0.8325 bmse011600 1 3 1 0.8283 bmse011600 1 4 1 0.8226 bmse011600 1 5 1 0.8176 bmse011600 1 6 1 0.7927 bmse011600 1 7 1 0.7823 bmse011600 1 8 1 0.7685 bmse011600 1 9 1 0.7566 bmse011600 1 10 1 0.7540 bmse011600 1 11 1 0.7472 bmse011600 1 12 1 2.6022 bmse011600 1 13 1 2.4557 bmse011600 1 14 1 2.4430 bmse011600 1 15 1 2.4313 bmse011600 1 16 1 2.4192 bmse011600 1 17 1 2.7146 bmse011600 1 18 1 2.0294 bmse011600 1 19 1 2.0199 bmse011600 1 20 1 2.0156 bmse011600 1 21 1 2.0017 bmse011600 1 22 1 1.9934 bmse011600 1 23 1 1.9845 bmse011600 1 24 1 1.9804 bmse011600 1 25 1 1.9711 bmse011600 1 26 1 1.9584 bmse011600 1 27 1 3.8128 bmse011600 1 28 1 3.7992 bmse011600 1 29 1 3.7864 bmse011600 1 30 1 3.7763 bmse011600 1 31 1 3.7605 bmse011600 1 32 1 3.7495 bmse011600 1 33 1 3.7391 bmse011600 1 34 1 3.7032 bmse011600 1 35 1 3.6969 bmse011600 1 36 1 3.6907 bmse011600 1 37 1 3.6837 bmse011600 1 38 1 3.6779 bmse011600 1 39 1 1.5897 bmse011600 1 40 1 1.5787 bmse011600 1 41 1 1.5679 bmse011600 1 42 1 1.5646 bmse011600 1 43 1 1.5457 bmse011600 1 44 1 1.5345 bmse011600 1 45 1 1.4988 bmse011600 1 46 1 3.4844 bmse011600 1 47 1 3.4753 bmse011600 1 48 1 3.4681 bmse011600 1 49 1 3.4560 bmse011600 1 50 1 3.4419 bmse011600 1 51 1 3.4344 bmse011600 1 52 1 3.4252 bmse011600 1 53 1 3.4199 bmse011600 1 54 1 3.4105 bmse011600 1 55 1 3.4017 bmse011600 1 56 1 3.1782 bmse011600 1 57 1 3.1672 bmse011600 1 58 1 3.1660 bmse011600 1 59 1 3.1529 bmse011600 1 60 1 3.1418 bmse011600 1 61 1 3.1308 bmse011600 1 62 1 3.1179 bmse011600 1 63 1 3.1069 bmse011600 1 64 1 3.0957 bmse011600 1 stop_ save_