## NMR-STAR dictionary: database table: ChemShiftRef

Detailed description of the fields

### _Chem_shift_ref.Atom_type (AtomType)

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NMR-STAR tag name | _Chem_shift_ref.Atom_type
Description | NMR-STAR name: _Chem_shift_ref.Atom_type The value for this tag is a standard IUPAC abbreviation for an element (i.e., H, C, P, etc).
Database field name | AtomType
SQL Database type | VARCHAR(15)
Part of primary Key | yes
Foreign Key on table, column | ,
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | yes
Prompt | Atom type
Examples | H
Help text |

### _Chem_shift_ref.Atom_isotope_number (AtomIsotopeNumber)

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NMR-STAR tag name | _Chem_shift_ref.Atom_isotope_number
Description | NMR-STAR name: _Chem_shift_ref.Atom_isotope_number The isotope number for the chemical element defined by the tag '_Atom_type' or any of its related tags.
Database field name | AtomIsotopeNumber
SQL Database type | INTEGER
Part of primary Key | yes
Foreign Key on table, column | ,
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | yes
Prompt | Atom isotope number
Examples | 1
Help text |

### _Chem_shift_ref.Mol_common_name (MolCommonName)

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NMR-STAR tag name | _Chem_shift_ref.Mol_common_name
Description | NMR-STAR name: _Chem_shift_ref.Mol_common_name Common name or abbreviation used in the literature for the molecule used as a chemical shift reference.
Database field name | MolCommonName
SQL Database type | VARCHAR(127)
Part of primary Key | yes
Foreign Key on table, column | ,
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | yes
Enumerations | [click for a list of enumerations] This is an open enumeration. The list of values are only suggestions. They are not enforced.
Prompt | Molecule common name
Examples | DSS
Help text |

### _Chem_shift_ref.Atom_group (AtomGroup)

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NMR-STAR tag name | _Chem_shift_ref.Atom_group
Description | NMR-STAR name: _Chem_shift_ref.Atom_group Group of atoms within a molecule whose chemical shift was used as the standard chemical shift reference for the defined observed nuclei.
Database field name | AtomGroup
SQL Database type | VARCHAR(127)
Part of primary Key | no
Foreign Key on table, column | ,
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | yes
Enumerations | [click for a list of enumerations] This is an open enumeration. The list of values are only suggestions. They are not enforced.
Prompt | Atom group
Examples | 'methyl protons'
Help text |

### _Chem_shift_ref.Concentration_val (ConcentrationVal)

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NMR-STAR tag name | _Chem_shift_ref.Concentration_val
Description | NMR-STAR name: _Chem_shift_ref.Concentration_val Concentration of the chemical shift reference compound in the external reference sample.
Database field name | ConcentrationVal
SQL Database type | FLOAT
Part of primary Key | no
Foreign Key on table, column | ,
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | no
Prompt | Concentration val
Examples | 1
Help text |

### _Chem_shift_ref.Concentration_units (ConcentrationUnits)

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NMR-STAR tag name | _Chem_shift_ref.Concentration_units
Description | NMR-STAR name: _Chem_shift_ref.Concentration_units Units for the concentration value for the chemical shift reference compound.
Database field name | ConcentrationUnits
SQL Database type | VARCHAR(15)
Part of primary Key | no
Foreign Key on table, column | ,
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | no
Prompt | Concentration units
Examples | mM
Help text |

### _Chem_shift_ref.Solvent (Solvent)

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NMR-STAR tag name | _Chem_shift_ref.Solvent
Description | NMR-STAR name: _Chem_shift_ref.Solvent Solvent used for the external reference sample.
Database field name | Solvent
SQL Database type | VARCHAR(127)
Part of primary Key | no
Foreign Key on table, column | ,
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | no
Prompt | Solvent
Examples | CHCL3
Help text |

### _Chem_shift_ref.Rank (Rank)

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NMR-STAR tag name | _Chem_shift_ref.Rank
Description | NMR-STAR name: _Chem_shift_ref.Rank The rank of the chemical shift reference. A primary reference is the one used in reporting the data. A secondary reference would be the compound in the sample or used as an external reference.
Database field name | Rank
SQL Database type | VARCHAR(15)
Part of primary Key | no
Foreign Key on table, column | ,
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | no
Prompt | Rank
Examples |
Help text |

### _Chem_shift_ref.Chem_shift_units (ChemShiftUnits)

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NMR-STAR tag name | _Chem_shift_ref.Chem_shift_units
Description | NMR-STAR name: _Chem_shift_ref.Chem_shift_units Units for the chemical shift value assigned to the atoms of the chemical shift reference.
Database field name | ChemShiftUnits
SQL Database type | VARCHAR(127)
Part of primary Key | no
Foreign Key on table, column | ,
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | yes
Enumerations | [click for a list of enumerations] This is a closed enumeration. The list of values are the only ones allowed.
Prompt | Chemical shift units
Examples | ppm
Help text |

### _Chem_shift_ref.Chem_shift_val (ChemShiftVal)

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NMR-STAR tag name | _Chem_shift_ref.Chem_shift_val
Description | NMR-STAR name: _Chem_shift_ref.Chem_shift_val Chemical shift value assigned to the reference compound nuclei.
Database field name | ChemShiftVal
SQL Database type | FLOAT
Part of primary Key | no
Foreign Key on table, column | ,
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | yes
Prompt | Chemical shift value for reference compound
Examples | 0
Help text |

### _Chem_shift_ref.Ref_method (RefMethod)

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NMR-STAR tag name | _Chem_shift_ref.Ref_method
Description | NMR-STAR name: _Chem_shift_ref.Ref_method The chemical shift reference method may be either internal (the compound is located in the sample) or external (the compound is in a container external to the sample).
Database field name | RefMethod
SQL Database type | VARCHAR(127)
Part of primary Key | no
Foreign Key on table, column | ,
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | no
Enumerations | [click for a list of enumerations] This is a closed enumeration. The list of values are the only ones allowed.
Prompt | Reference method
Examples | internal
Help text |

### _Chem_shift_ref.Ref_type (RefType)

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NMR-STAR tag name | _Chem_shift_ref.Ref_type
Description | NMR-STAR name: _Chem_shift_ref.Ref_type The reference type may be either direct (against a value measured with a chemical compound) or indirect (calculated from chemical shift ratios).
Database field name | RefType
SQL Database type | VARCHAR(127)
Part of primary Key | no
Foreign Key on table, column | ,
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | no
Enumerations | [click for a list of enumerations] This is a closed enumeration. The list of values are the only ones allowed.
Prompt | Reference type
Examples | direct
Help text |

### _Chem_shift_ref.Indirect_shift_ratio (IndirectShiftRatio)

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NMR-STAR tag name | _Chem_shift_ref.Indirect_shift_ratio

Description

NMR-STAR name: _Chem_shift_ref.Indirect_shift_ratio
The Chi value used in calculating the chemical shift referencing values for nuclei that are referenced indirectly. The values used should be those recommended by the IUPAC Taskforce on the deposition of data to the public databases [Markley, et al. Pure and Appl. Chem. 70, 117-142 (1998)]. Usually the value entered for 1H chemical shift referencing would be 1.0.

Database field name | IndirectShiftRatio
SQL Database type | FLOAT
Part of primary Key | no
Foreign Key on table, column | ,
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | no
Prompt | Indirect chemical shift ratio
Examples | ?
Help text |

### _Chem_shift_ref.External_ref_loc (ExternalRefLoc)

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NMR-STAR tag name | _Chem_shift_ref.External_ref_loc

Description

NMR-STAR name: _Chem_shift_ref.External_ref_loc
External chemical shift references are defined as compounds used to reference chemical shifts that are kept physically separated from the molecules being studied. The reference compound may be placed either within the same NMR sample tube as the experimental sample commonly using a cylindrical or spherical insert that contains the reference compound or in a completely separate NMR sample tube. In the latter case, an insert also may be used, but the reference compound sample and the experimental sample are not in the NMR spectrometer at the same time. When a coaxial insert is used for the reference sample, the reference sample may either be located at the outer edge of the NMR tube or at the center. Please select the item that best describes the method you have used.

Database field name | ExternalRefLoc
SQL Database type | VARCHAR(127)
Part of primary Key | no
Foreign Key on table, column | ,
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | no
Enumerations | [click for a list of enumerations] This is an open enumeration. The list of values are only suggestions. They are not enforced.
Prompt | External reference compound location
Examples | insert at center of experimental sample tube
Help text |

### _Chem_shift_ref.External_ref_sample_geometry (ExternalRefSampleGeometry)

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NMR-STAR tag name | _Chem_shift_ref.External_ref_sample_geometry
Description | NMR-STAR name: _Chem_shift_ref.External_ref_sample_geometry The geometrical shape of the external reference sample. The reference sample may be either in a capillary inserted into the tube containing the experimental sample or in a completely separate NMR tube.
Database field name | ExternalRefSampleGeometry
SQL Database type | VARCHAR(127)
Part of primary Key | no
Foreign Key on table, column | ,
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | no
Enumerations | [click for a list of enumerations] This is an open enumeration. The list of values are only suggestions. They are not enforced.
Prompt | External reference sample geometry
Examples | spherical; cylindrical; etc.
Help text |

### _Chem_shift_ref.External_ref_axis (ExternalRefAxis)

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NMR-STAR tag name | _Chem_shift_ref.External_ref_axis
Description | NMR-STAR name: _Chem_shift_ref.External_ref_axis The axis of the external chemical shift reference sample relative to the static field (Bo) of the spectrometer.
Database field name | ExternalRefAxis
SQL Database type | VARCHAR(127)
Part of primary Key | no
Foreign Key on table, column | ,
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | no
Enumerations | [click for a list of enumerations] This is an open enumeration. The list of values are only suggestions. They are not enforced.
Prompt | External reference axis
Examples | parallel; perpendicular
Help text |

### _Chem_shift_ref.Indirect_shift_ratio_cit_ID (IndirectShiftRatioCitID)

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NMR-STAR tag name | _Chem_shift_ref.Indirect_shift_ratio_cit_ID
Description | NMR-STAR name: _Chem_shift_ref.Indirect_shift_ratio_cit_ID Pointer to '_Citation.ID'
Database field name | IndirectShiftRatioCitID
SQL Database type | INTEGER
Part of primary Key | no
Foreign Key on table, column | Citation, ID
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | no
Prompt | Indirect shift ratio Citation ID
Examples | ?
Help text |

### _Chem_shift_ref.Indirect_shift_ratio_cit_label (IndirectShiftRatioCitLabel)

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NMR-STAR tag name | _Chem_shift_ref.Indirect_shift_ratio_cit_label
Description | NMR-STAR name: _Chem_shift_ref.Indirect_shift_ratio_cit_label Pointer to a saveframe of the category citation.
Database field name | IndirectShiftRatioCitLabel
SQL Database type | VARCHAR(127)
Part of primary Key | no
Foreign Key on table, column | Citation, Sf_framecode
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | no
Prompt | Indirect shift ratio Citation label
Examples | ?
Help text |

### _Chem_shift_ref.Ref_correction_type (RefCorrectionType)

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NMR-STAR tag name | _Chem_shift_ref.Ref_correction_type
Description | NMR-STAR name: _Chem_shift_ref.Ref_correction_type If a correction value is applied to calculate the reported chemical shifts the source of the correction (pH; temperature; etc.).
Database field name | RefCorrectionType
SQL Database type | VARCHAR(127)
Part of primary Key | no
Foreign Key on table, column | ,
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | no
Prompt | Correction type applied to chemical shift reference
Examples | temperature
Help text |

### _Chem_shift_ref.Correction_val (CorrectionVal)

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NMR-STAR tag name | _Chem_shift_ref.Correction_val
Description | NMR-STAR name: _Chem_shift_ref.Correction_val An uniform correction value that was applied because of an extenuating circumstance such as data collection at an unusual temperature.
Database field name | CorrectionVal
SQL Database type | FLOAT
Part of primary Key | no
Foreign Key on table, column | ,
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | no
Prompt | Correction value applied
Examples | 0.1
Help text |

### _Chem_shift_ref.Correction_val_cit_ID (CorrectionValCitID)

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NMR-STAR tag name | _Chem_shift_ref.Correction_val_cit_ID
Description | NMR-STAR name: _Chem_shift_ref.Correction_val_cit_ID Pointer to '_Citation.ID'
Database field name | CorrectionValCitID
SQL Database type | INTEGER
Part of primary Key | no
Foreign Key on table, column | Citation, ID
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | no
Prompt | Correction val Citation ID
Examples | ?
Help text |

### _Chem_shift_ref.Correction_val_cit_label (CorrectionValCitLabel)

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NMR-STAR tag name | _Chem_shift_ref.Correction_val_cit_label
Description | NMR-STAR name: _Chem_shift_ref.Correction_val_cit_label Pointer to a saveframe of the category citation.
Database field name | CorrectionValCitLabel
SQL Database type | VARCHAR(127)
Part of primary Key | no
Foreign Key on table, column | Citation, Sf_framecode
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | no
Prompt | Correction val Citation label
Examples | ?
Help text |

### _Chem_shift_ref.Sf_ID (SfID)

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NMR-STAR tag name | _Chem_shift_ref.Sf_ID
Description | NMR-STAR name: _Chem_shift_ref.Sf_ID Pointer to '_Chem_shift_reference.Sf_ID'
Database field name | SfID
SQL Database type | INTEGER
Part of primary Key | no
Foreign Key on table, column | Chem_shift_reference, Sf_ID
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | yes This field's data is for internal use only and should be hidden in public versiond of the data.
Nulls allowed in database? | yes
Prompt | Sf ID
Examples | ?
Help text |

### _Chem_shift_ref.Entry_ID (EntryID)

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NMR-STAR tag name | _Chem_shift_ref.Entry_ID
Description | NMR-STAR name: _Chem_shift_ref.Entry_ID Pointer to '_Entry.ID'
Database field name | EntryID
SQL Database type | CHAR(12)
Part of primary Key | yes
Foreign Key on table, column | Chem_shift_reference, Entry_ID
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | yes
Prompt | Entry ID
Examples | ?
Help text |

### _Chem_shift_ref.Chem_shift_reference_ID (ChemShiftReferenceID)

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NMR-STAR tag name | _Chem_shift_ref.Chem_shift_reference_ID
Description | NMR-STAR name: _Chem_shift_ref.Chem_shift_reference_ID Pointer to '_Chem_shift_reference.ID'
Database field name | ChemShiftReferenceID
SQL Database type | INTEGER
Part of primary Key | yes
Foreign Key on table, column | Chem_shift_reference, ID
Saveframe ID | no
Row Index | no
Secondary Index | no
Internal Flag | no
Nulls allowed in database? | yes
Prompt | Chem shift reference ID
Examples | ?
Help text |