|
INTERNATIONAL TABLES for CRYSTALLOGRAPHY |
Volume G |
Definition and Exchange of Crystallographic Data |
| syntactic unit | syntax | case sensitive? |
|---|---|---|
| Basic Structure of a CIF | ||
| <CIF> | <Comments>? <WhiteSpace>? { <DataBlock> { <WhiteSpace> <DataBlock> }* { <WhiteSpace> }? }? | yes |
| <DataBlock> | <DataBlockHeading> {<WhiteSpace> { <DataItems> | <SaveFrame>} }* | yes |
| <DataBlockHeading> | <DATA_> { <NonBlankChar> }+ | no |
| <SaveFrame> | <SaveFrameHeading> { <WhiteSpace> <DataItems> }+ <WhiteSpace> <SAVE_> | yes |
| <SaveFrameHeading> | <SAVE_> { <NonBlankChar> }+ | no |
| <DataItems> | <Tag> <WhiteSpace> <Value>
| <LoopHeader> <LoopBody> |
yes |
| <LoopHeader> | <LOOP_> {<WhiteSpace> <Tag>}+ | no |
| <LoopBody> | <Value> { <WhiteSpace> <Value> }* | yes |
| Reserved Words | ||
| <DATA_> | {'D' | 'd'} {'A' | 'a'} {'T' | 't'} {'A' | 'a'} '_' | no |
| <LOOP_> | {'L' | 'l'} {'O' | 'o'} {'O' | 'o'} {'P' | 'p'} '_' | no |
| <GLOBAL_> | {'G' | 'g'} {'L' | 'l'} {'O' | 'o'} {'B' | 'b'} {'A' | 'a'} {'L' | 'l'} '_' | no |
| <SAVE_> | {'S' | 's'} {'A' | 'a'} {'V' | 'v'} {'E' | 'e'} '_' | no |
| <STOP_> | {'S' | 's'} {'T' | 't'} {'O' | 'o'} {'P' | 'p'} '_' | no |
| Tags and Values | ||
| <Tag> | '_'{ <NonBlankChar>}+ | no |
| <Value> | { '.' | '?' | <Numeric> | <CharString> | <TextField> } | yes |
| Numeric Values | ||
| <Numeric> | { <Number> | <Number> '(' <UnsignedInteger> ')' } | no |
| <Number> | {<Integer> | <Float> } | no |
| <Integer> | { '+' | '-' }? <UnsignedInteger> | no |
| <Float> | { <Integer><Exponent> | { {'+'|'-'} ? { {<Digit>} * '.' <UnsignedInteger> } | { <Digit>} + '.' } } {<Exponent>} ? } } |
no |
| <Exponent> | { {'e' | 'E' } | {'e' | 'E' } { '+' | '- ' } } <UnsignedInteger> | no |
| <UnsignedInteger> | { <Digit> }+ | no |
| <Digit> | { '0' | '1' | '2' | '3' | '4' | '5' | '6' | '7' | '8' | '9' } | no |
| Character Strings and Text Fields | ||
| <CharString> | <UnquotedString> | <SingleQuotedString> | <DoubleQuotedString> | yes |
| <eol><UnquotedString> | <eol><OrdinaryChar> {<NonBlankChar>}* | yes |
| <noteol><UnquotedString> | <noteol>{<OrdinaryChar>|';'} {<NonBlankChar>}* | yes |
| <SingleQuotedString> <WhiteSpace> | <single_quote>{<AnyPrintChar>}* <single_quote> <WhiteSpace> | yes |
| <DoubleQuotedString> <WhiteSpace> | <double_quote> {<AnyPrintChar>}* <double_quote> <WhiteSpace> | yes |
| <TextField> | { <SemiColonTextField> } | yes |
| <eol><SemiColonTextField> | <eol>';' { {<AnyPrintChar>}*
<eol> {{<TextLeadChar> {<AnyPrintChar>}*}? <eol>}* } ';' |
yes |
| WhiteSpace and Comments | ||
| <WhiteSpace> | { <SP> | <HT> | <eol> | <TokenizedComments>}+ | yes |
| <Comments> | { '#' {<AnyPrintChar>}* <eol>}+ | yes |
| <TokenizedComments> | { <SP> | <HT> | <eol> |}+ <Comments> | yes |
| Character Sets | ||
| <OrdinaryChar> | { '!' | '%' | '&' | '(' | ')' | '*' | '+' | ',' | '-' | '.' | '/' | '0' | '1' | '2' | '3' | '4' | '5' | '6' | '7' | '8' | '9' | ':' | '<' | '=' | '>' | '?' | '@' | 'A' | 'B' | 'C' | 'D' | 'E' | 'F' | 'G' | 'H' | 'I' | 'J' | 'K' | 'L' | 'M' | 'N' | 'O' | 'P' | 'Q' | 'R' | 'S' | 'T' | 'U' | 'V' | 'W' | 'X' | 'Y' | 'Z' | '\' | '^' | '`' | 'a' | 'b' | 'c' | 'd' | 'e' | 'f' | 'g' | 'h' | 'i' | 'j' | 'k' | 'l' | 'm' | 'n' | 'o' | 'p' | 'q' | 'r' | 's' | 't' | 'u' | 'v' | 'w' | 'x' | 'y' | 'z' | '{' | '|' | '}' | '~' } | yes |
| <NonBlankChar> | <OrdinaryChar> | <double_quote> | '#' | '$' | <single_quote> | '_' |';' | '[' | ']' | yes |
| <TextLeadChar> | <OrdinaryChar> | <double_quote> | '#' | '$' | <single_quote> | '_' | <SP> | <HT> |'[' | ']' | yes |
| <AnyPrintChar> | <OrdinaryChar> | <double_quote> | '#' | '$' | <single_quote> | '_' | <SP> | <HT> | ';' | '[' | ']' | yes |
Copyright © 2005 International Union of Crystallography