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Data Item
_chemical_formula.analytical
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General
Item name
_chemical_formula.analytical
Category name
chemical_formula
Attribute name
analytical
Required in PDB entries
no
Used in currrent PDB entries
No
Item Description
Formula determined by standard chemical analysis including trace elements. See the CHEMICAL_FORMULA category description for rules for writing chemical formulae. Parentheses are used only for standard uncertainties (estimated standard deviations).
Item Example
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Fe2.45(2) Ni1.60(3) S4
Data Type
Data type code
text
Data type detail
text item types / multi-line text ...
Primitive data type code
char
Regular expression
[][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*
Aliases
Alias Item Name
Dictionary Name
Dictionary Version
_chemical_formula_analytical
cif_core.dic
2.0.1