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Category chem_shift_ref

Category Description


Items in the chem_shift_ref category provide the chemical shift referencing values used in assigning the chemical shift positions for peaks in spectral peak lists and assigned atom chemical shifts.

Category Examples

Example 1:

Key Category Items

Items in Category chem_shift_ref

Item Name	Mandatory Code
_chem_shift_ref.atom_group	yes
_chem_shift_ref.atom_isotope_number	yes
_chem_shift_ref.atom_type	yes
_chem_shift_ref.chem_shift_reference_id	yes
_chem_shift_ref.chem_shift_units	yes
_chem_shift_ref.chem_shift_val	yes
_chem_shift_ref.concentration_units	no
_chem_shift_ref.concentration_val	no
_chem_shift_ref.correction_val	no
_chem_shift_ref.correction_val_cit_id	yes
_chem_shift_ref.correction_val_cit_label	no
_chem_shift_ref.entry_id	yes
_chem_shift_ref.external_ref_axis	no
_chem_shift_ref.external_ref_loc	no
_chem_shift_ref.external_ref_sample_geometry	no
_chem_shift_ref.indirect_shift_ratio	yes
_chem_shift_ref.indirect_shift_ratio_cit_id	yes
_chem_shift_ref.indirect_shift_ratio_cit_label	no
_chem_shift_ref.mol_common_name	yes
_chem_shift_ref.rank	no
_chem_shift_ref.ref_correction_type	no
_chem_shift_ref.ref_method	yes
_chem_shift_ref.ref_type	yes
_chem_shift_ref.solvent	no


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