FID Sampling

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
NEX_format_version	enum	Required	version number for this schema definition
File_generated_date	date	Required	date that this file was generated
ID	integer	Required	unique integer identifier (unique to save frame, typically 1)
Software_ID	integer	Optional	foreign key to Software
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	foreign key to NMR_spec_expt
Layout_dimension_count	positive integer	Required	number of spectral 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
Layout_FID_ID_type	enum	Optional	Arbitrary, byte-index
Matrix_format	enum	Optional	The format used for the data matrix
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 …

dimX: can be values of dim1 through dim8.

Field	Schema	Necessity	Description
FID_ID	positive integer	Required	Unique Integer ID for each FID - Implied FIDs are ordered from acquisition
Proc_FID_ID	positive integer	Optional	Unique Integer ID for each FID after processing may reorder the FIDs
Time_index_dimX	integer	Required	Time indel for dimensions. Multiply by FID_sampling_base to derive the time_multiplier
Quadrature_index_dimX	integer	Required	Quadrature indel for dimensions. Multiply by FID_sampling_base to derive quadrature_multiplier
Quadrature_value_dimX	float	Optional	The quadrature values for dimensions.
AuxA_index	integer	Optional	Increment for Auxiliary axis A
AuxB_index	integer	Optional	Increment for Auxiliary axis B
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	Required	sequence of bursts
Time_point_start	positive integer	Required	beginning of burst
Time_point_end	positive integer	Required	end of burst

Quadrature_value_ordered_list (Optional)

This loop stores information about ...

Field	Schema	Necessity	Description
Dim2	string	Optional	list of Quad Values for Dim 2
Dim3	string	Optional	list of Quad Values for Dim 3
Dim4	string	Optional	list of Quad Values for Dim 4
Dim5	string	Optional	list of Quad Values for Dim 5
Dim6	string	Optional	list of Quad Values for Dim 6
Dim7	string	Optional	list of Quad Values for Dim 7
Dim8	string	Optional	list of Quad Values for Dim 8

Time_value_ordered_list (Optional)

This loop stores information about ...

Field	Schema	Necessity	Description
Dim2	float	Optional	list of Time Values for Dim 2
Dim3	float	Optional	list of Time Values for Dim 3
Dim4	float	Optional	list of Time Values for Dim 4
Dim5	float	Optional	list of Time Values for Dim 5
Dim6	float	Optional	list of Time Values for Dim 6
Dim7	float	Optional	list of Time Values for Dim 7
Dim8	float	Optional	list of Time Values for Dim 8

AuxA (Optional)

This loop stores information about ...

Field	Schema	Necessity	Description
Ordered_list	string	Required	Arbitrary List

AuxB (Optional)

This loop stores information about ...

Field	Schema	Necessity	Description
Ordered_list	string	Required	Arbitrary List

Minimal Example

save_FID_sampling

    _FID_sampling.Sf_category              FID_sampling 
    _FID_sampling.NEX_format_version	   0.7
    _FID_sampling.File_generated_date	   2019-07-08                                   
    _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    

    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         quadrature_series_type   linear          ‘_Schedule.Phase_index_dim2’
         2         quadrature_multiplier    90               na
         2         quadrature_offset        0                na
         2         quadrature_units         degree           na

    stop_

    loop_                                                                                               

        _Schedule.FID_ID                                                                                  
        _Schedule.Time_index_dim2
        _Schedule.Quadrature_index_dim2                                                                        
        _Schedule.Transient_count
        _Schedule.FID_weight

        1  0  0   16  1.0                                                                            
        2  0  1   16  1.0                                                       
                  
    stop_                                                                                               

save_