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FID Sampling

gryk edited this page Dec 26, 2018 · 28 revisions

FID Sampling (Required)

This save frame stores information about the software used to generate the sample schedule, the layout of the full set of experimental data collected, and specific data collection techniques used.

Field Schema Necessity Description
Sf_category FID_sampling Required NMR-STAR Save Frame Category
ID integer Required unique integer identifier
Software_ID date Optional unique integer identifier
Gryk notes. Is ID optional?
Software_name string Optional common name of software
Gryk notes. Name appears redundant to software save frame.
Experiment_name string Required arbitrary name of experiment
NMR_spec_expt_ID integer Optional experiment ID from spectrometer
Layout_dimension_count positive integer Required number of dimensions
Layout_aux_dimension_count positive integer Optional number of auxiliary dimensions
Layout_hypercomplex_component_type enum Required full, partial ?
Layout_transient_type enum Required uniform, non-uniform ?
Expt_quadrature_class enum Required ?
Expt_redfield_trick enum Required ?
FID_sampling_base Loop Required table of key-value pairs for dimensions
Schedule Loop Required table of fids in schedule
Gap_schedule Loop Optional table of gap schedules for direct dimension

Fid_sampling_base Loop (Required)

This loop stores information about ...

Field Schema Necessity Description
Spectral_dim ID Required ID for the spectral dimension
Parameter enum Required One of the allowed parameters describing the spectral layout
Parameter_value string Required value for the parameter
Param_tag string Required arbitrary tag for the parameter

Schedule Loop (Required)

This loop stores information about …

Field Schema Necessity Description
FID_ID positive integer Required Unique Integer ID for each FID
Proc_FID_ID positive integer Optional Unique Integer ID for ??
Time_index_dimX integer Required Time indel for dimensions. Multiply by FID_sampling_base->time_multiplier
Phase_index_dimX integer Required Phase indel for dimensions. Multiply by FID_sampling_base->phasee_multiplier
AuxA_index integer Optional Increment for Auxiliary axes
Transient_count integer Required Number of repeated scans (transients) in this recorded FID
FID_weight float Required Arbitrary weighting of FID
FID_sampling_ID positive integer Optional For interleaved schedules, location of schedule
Gap_schedule_dim1 Loop Optional Gap Schedule for direct dimension

Gap_schedule Loop (Optional)

This loop stores information about data points in a FID with no data.

Field Schema Necessity Description
Name string Required Arbitrary name
Ordinal positive integer sequence of bursts
Time_point_start positive integer beginning of burst
Time_point_end positive integer end of burst

Minimal Example

save_FID_sampling

    _FID_sampling.Sf_category              FID_sampling                                    
    _FID_sampling.ID                       1     
    _FID_sampling.Software_ID		   2
    _FID_sampling.Software_name		'schedule generator'                          


    _FID_sampling.Experiment_name                          HN-HSQC
    _FID_sampling.Layout_dimension_count                   2                                                
    _FID_sampling.Layout_hypercomplex_component_type       full                                            
    _FID_sampling.Layout_transient_type                    uniform                                         
    _FID_sampling.Expt_quadrature_class                    na                                              
    _FID_sampling.Expt_redfield_trick                      no                                             
 

    loop_            # Keep schedule base parameters and values in one loop.

        _FID_sampling_base.Spectral_dim       
        _FID_sampling_base.Parameter
        _FID_sampling_base.Parameter_value
        _FID_sampling_base.Param_tag

         2         time_series_type    linear          ‘_Schedule.Time_index_dim2’
         2         time_multiplier     0.000010         na 
         2         time_offset         0                na
         2         time_units          sec              na
         2         phase_series_type   linear          ‘_Schedule.Phase_index_dim2’
         2         phase_multiplier    90               na
         2         phase_offset        0                na
         2         phase_units         degree           na

    stop_

    loop_                                                                                               

        _Schedule.FID_ID                                                                                  
        _Schedule.Time_index_dim2
        _Schedule.Phase_index_dim2                                                                        
        _Schedule.Transient_count
        _Schedule.FID_weight

        1  0  0   16  1.0                                                                            
        2  0  1   16  1.0                                                       
                  
    stop_                                                                                               

save_

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