#include <NMRStarFile.h>
Public Attributes | |
| String | mol_common_name |
| char | atom_type |
| Position | isotope_number |
| String | atom_group |
| String | shift_units |
| float | shift_value |
| char | reference_method |
| char | reference_type |
| float | indirect_shift_ratio |
This structure includes all information for a shift reference element for one atom type delivered by a NMR-Star-File. All members are public for easy access.