#########################
# 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_