Experiment Parameters

Experiment Parameters (Optional)

This save frame stores information about the details of an NMR experiment.

Field	Schema	Necessity	Description
Sf_category	string	Required	NMR-STAR Save Frame Category: NMR_spectrometer_expt
ID	integer	Required	unique integer identifier
Name	string	Required	arbitrary name

Experiment File (Optional)

This loop stores information about the digital files produced by a spectrometer.

Field	Schema	Necessity	Description
Name	string	Required	filename
Type	string	Required	filetype
Directory_path	string	Required	filepath
Byte_order	enum	Required	Little Endian, etc.
Bytes_per_data_point	integer	Required	number of bytes per data point
File_header_size	integer	Required	size of file header
Record_header_size	integer	Required	size of record header
Record_trailer_size	integer	Required	size of record trailer
Compression_algorithm	string	Required	Compression algorithm for file
Details	string	Required	Additional details

Schedule Table Data (Optional)

This loop stores information about order in which schedule parameters are present in the schedule file.

Field	Schema	Necessity	Description
Param_ordinal	positive integer	Required	Parameter Key
Param_tag	string	Required	Parameter Value

Spectral_param (Optional)

This loop stores information about ...

Field	Schema	Necessity	Description
Dim	positive integer	Required	Dimension
Parameter	string	Required	Parameter Key
Value	string	Required	Parameter Value

save_experiment_parameters          # This save frame is used to capture information
                                    # specific to an experiment that uses the NUS
                                    # schedule defined above.
			
   _NMR_spec_expt.Sf_category		NMR_spectrometer_expt	
   _NMR_spec_expt.ID			1	
   _NMR_spec_expt.Name			HNCO	
   
   loop
     _NMR_experiment_file.Name                     
     _NMR_experiment_file.Type                    
     _NMR_experiment_file.Directory_path         
     _NMR_experiment_file.Byte_order             
     _NMR_experiment_file.Bytes_per_data_point    
     _NMR_experiment_file.File_header_size        
     _NMR_experiment_file.Record_header_size      
     _NMR_experiment_file.Record_trailer_size      
     _NMR_experiment_file.Compression_algorithm   
     _NMR_experiment_file.Details                 

	HNCO	na	na	'little endian'	4	na	na	na	na
	
    stop_
    
;
Text field used to report additional information relevant to the specific experiment.
;

    loop_          
      _Schedule_table_data_org.Param_ordinal 
      _Schedule_table_data_org.Param_tag             

    1     ‘_Schedule.Time_index_dim2’
    2     ‘_Schedule.Phase_index_dim2’
    3     ‘_Schedule.AuxA_index’              
    4     ‘_Schedule.Time_index_dim3’
    5     ‘_Schedule.Phase_value_dim3’

    stop_

    loop_       # Put values relevant to a specific experimental spectral instance
                # where the schedule is used in a separate loop. 

       _Spectral_param.Dim
       _Spectral_param.Parameter
       _Spectral_param.Value

         1         size                             na 
         1         spectral_width_Hz                5000
         1         obs_freq_MHz_at_center           500
         1         obs_freq_at 0ppm                 499.90
         1         ppm_at_center                    4.55
         1         zero_order_phase_corr            -50.0           
         1         first_order_phase_corr           0.0             
         1         nucleus                          1H
         1         label                            HN
         1         details                          na

         2         size                             na 
         2         spectral_width_Hz                na
         2         obs_freq_MHz_at_center           na
         2         obs_freq_at 0ppm                 na
         2         ppm_at_center                    na
         2         zero_order_phase_corr            -50.0           
         2         first_order_phase_corr           0.0             
         2         nucleus                          15N
         2         label                            N
         2         details                          na

         3         size                             na 
         3         spectral_width_Hz                na
         3         obs_freq_MHz_at_center           na
         3         obs_freq_at 0ppm                 na
         3         ppm_at_center                    na
         3         zero_order_phase_corr            -50.0           
         3         first_order_phase_corr           0.0             
         3         nucleus                          13C
         3         label                            CO
         3         details                          na

  stop_

save_