Supporting Data mmcif_nmr-star.dic
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Dictionary Revision History
| Version | Revision Date | Revision Description | |
|---|---|---|---|
| 3.1.1.56 | 2013-10-14 | Changed category group, and item group for X-ray_instrument to Xray_instrument |
mmcif_nmr-star.dic |
| 3.1.1.55 | 2013-10-14 | Category groups updated. |
mmcif_nmr-star.dic |
| 3.1.1.54 | 2013-10-13 | Save frames for MS, EMR, and FRET added. Spell checking on tag descriptions carried out. Many corrections and suggestions provided by PDBj-BMRB implemented. |
mmcif_nmr-star.dic |
| 3.0.9.0 | 2008-06-04 | Large number of new tags implemented. |
mmcif_nmr-star.dic |
| 3.0.6.22 | 2007-01-01 | Multiple updates to tags and categories implemented. |
mmcif_nmr-star.dic |
| 3.1.1.56 | 2013-10-14 | Changed category group, and item group for X-ray_instrument to Xray_instrument |
mmcif_nmr-star.dic |
| 3.1.1.55 | 2013-10-14 | Category groups updated. |
mmcif_nmr-star.dic |
| 3.1.1.54 | 2013-10-13 | Save frames for MS, EMR, and FRET added. Spell checking on tag descriptions carried out. Many corrections and suggestions provided by PDBj-BMRB implemented. |
mmcif_nmr-star.dic |
| 3.0.9.0 | 2008-06-04 | Large number of new tags implemented. |
mmcif_nmr-star.dic |
| 3.0.6.22 | 2007-01-01 | Multiple updates to tags and categories implemented. |
mmcif_nmr-star.dic |
Data Type List
| Data Type Code | Primitive Type Code | Regular Expression | Description |
|---|---|---|---|
| any | char | .* | A catch all for items that may take any form... |
| atcode | char | [][ _(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]* | Character data type for atom names ... |
| binary | char | \n--CIF-BINARY-FORMAT-SECTION--\n\ [][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*\ \n--CIF-BINARY-FORMAT-SECTION---- |
binary items are presented as MIME-like ascii-encoded sections in an imgCIF. In a CBF, raw octet streams are used to convey the same information. |
| code | char | [_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]* | code item types/single words ... |
| uchar | [_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]* | code item types/single words (case insensitive) ... | |
| fax | uchar | [_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]* | code item types/single words (case insensitive) ... |
| float | numb | -?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? | int item types are the subset of numbers that are the floating numbers. |
| float-range | numb | -?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?(--?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?)? | int item types are the subset of numbers that are the floating numbers. |
| framecode | char | [.;:"&<>(){}'`~!$%A-Za-z0-9*|+-][_.;:"&<>(){}'`~!$%A-Za-z0-9*|+-]* | A value that points to a saveframe. |
| idname | uchar | [_A-Za-z0-9]+ | idname item types take the form... |
| int | numb | -?[0-9]+ | int item types are the subset of numbers that are the negative or positive integers. |
| int-range | numb | -?[0-9]+(--?[0-9]+)? | int item types are the subset of numbers that are the negative or positive integers with optional range. |
| line | char | [][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]* | char item types / multi-word items ... |
| name | uchar | _[_A-Za-z0-9]+\.[][_A-Za-z0-9%-]+ | name item types take the form... |
| phone | uchar | [_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]* | code item types/single words (case insensitive) ... |
| symop | char | ([1-9]|[1-9][0-9]|1[0-8][0-9]|19[0-2])(_[1-9][1-9][1-9])? | symop item types take the form n_klm, where n refers to the symmetry operation that is applied to the coordinates in the ATOM_SITE category identified by _atom_site_label. It must match a number given in _symmetry_equiv_pos_site_id. k, l, and m refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used. These translations (x,y,z) are related to (k,l,m) by k = 5 + x l = 5 + y m = 5 + z By adding 5 to the translations, the use of negative numbers is avoided. |
| text | char | [][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]* | text item types / multi-line text ... |
| uchar1 | uchar | [+]?[A-Za-z0-9] | data item for 1 character codes |
| uchar3 | uchar | [+]?[A-Za-z0-9]?[A-Za-z0-9][A-Za-z0-9] | data item for 3 character codes |
| ucode | uchar | [_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]* | code item types/single words (case insensitive) ... |
| uline | uchar | [][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]* | char item types / multi-word items (case insensitive)... |
| yes_no | char | (yes)|(no) | data item for boolean codes that have values of 'yes' or 'no' |
| yyyy-mm-dd | char | [0-9]?[0-9]?[0-9][0-9]-[0-9]?[0-9]-[0-9][0-9] | Standard format for CIF dates. |
| yyyy-mm-dd:hh:mm | char | [0-9]?[0-9]?[0-9][0-9]-[0-9]?[0-9](-[0-9]?[0-9])?(:[0-9]?[0-9]:[0-9][0-9])? | Standard format for CIF dates with optional time stamp. |
SubCategory List
| SubCategory Identifier | Description |
|---|
Units List
| Units Identifier | Description |
|---|---|
| 8pi2_angstroms_squared | 8pi2 * angstroms squared (meters * 10(-10))2 |
| angstroms | angstroms (meters * 10(-10)) |
| angstroms_cubed | angstroms cubed (meters * 10(-10))3 |
| angstroms_degrees | angstroms * degrees |
| angstroms_squared | angstroms squared (meters * 10(-10))2 |
| arbitrary | arbitrary system of units. |
| celsius | degrees (of temperature) Celsius |
| centimetres | centimetres (meters * 10( -2)) |
| counts | counts |
| counts_per_photon | counts per photon |
| degrees | degrees (of arc) |
| degrees_per_minute | degrees (of arc) per minute |
| degrees_squared | degrees squared |
| electron_volts | electron volts |
| electrons | electrons |
| electrons_angstrom_squared | electrons square angstrom |
| electrons_per_angstroms_cubed | electrons per angstroms cubed (meters * 10(-10))3 |
| electrons_per_nanometres_cubed | electrons per nanometres cubed (meters * 10( -9))3 |
| electrons_per_picometres_cubed | electrons per picometres cubed (meters * 10(-12))3 |
| electrons_squared | electrons squared |
| femtometres | femtometres (meters * 10(-15)) |
| gigapascals | gigapascals |
| hours | hours |
| kelvins | degrees (of temperature) Kelvin |
| kilopascals | kilopascals |
| kilovolts | kilovolts |
| kilowatts | kilowatts |
| megadaltons | megadaltons |
| megagrams_per_cubic_metre | megagrams per cubic metre |
| metres | metres |
| mg_per_ml | milliliter per milligram |
| microns | microns |
| microns_squared | microns squared |
| microseconds | microseconds |
| milliamperes | milliamperes |
| milligrams | grams / 1000 |
| milliliters | liter / 1000 |
| millimetres | millimetres (meters * 10( -3)) |
| millimolar | millimolar |
| minutes | minutes |
| ml_per_min | milliliter per minute |
| nanometres | nanometres (meters * 10( -9)) |
| nanometres_cubed | nanometres cubed (meters * 10( -9))3 |
| nanometres_squared | nanometres squared (meters * 10( -9))2 |
| picometres | picometres (meters * 10(-12)) |
| picometres_cubed | picometres cubed (meters * 10(-12))3 |
| picometres_squared | picometres squared (meters * 10(-12))2 |
| pixels_per_millimetre | pixels per millimetre |
| reciprocal_angstroms | reciprocal angstroms (meters * 10(-10)-1) |
| reciprocal_centimetres | reciprocal centimetres (meters * 10( -2)-1) |
| reciprocal_millimetres | reciprocal millimetres (meters * 10( -3)-1) |
| reciprocal_nanometres | reciprocal nanometres (meters * 10( -9)-1) |
| reciprocal_picometres | reciprocal picometres (meters * 10(-12)-1) |
| seconds | seconds |
Units Conversion List
| From Units&Identifier | To Units&Identifier | Operator | Conversion Factor |
|---|---|---|---|
| metres | centimetres | * | 1.0E+02 |
| metres | millimetres | * | 1.0E+03 |
| metres | nanometres | * | 1.0E+09 |
| metres | angstroms | * | 1.0E+10 |
| metres | picometres | * | 1.0E+12 |
| metres | femtometres | * | 1.0E+15 |
| centimetres | millimetres | * | 1.0E+01 |
| centimetres | nanometres | * | 1.0E+07 |
| centimetres | angstroms | * | 1.0E+08 |
| centimetres | picometres | * | 1.0E+10 |
| centimetres | femtometres | * | 1.0E+13 |
| millimetres | centimetres | * | 1.0E-01 |
| millimetres | nanometres | * | 1.0E+06 |
| millimetres | angstroms | * | 1.0E+07 |
| millimetres | picometres | * | 1.0E+09 |
| millimetres | femtometres | * | 1.0E+12 |
| nanometres | centimetres | * | 1.0E-07 |
| nanometres | millimetres | * | 1.0E-06 |
| nanometres | angstroms | * | 1.0E+01 |
| nanometres | picometres | * | 1.0E+03 |
| nanometres | femtometres | * | 1.0E+06 |
| angstroms | centimetres | * | 1.0E-08 |
| angstroms | millimetres | * | 1.0E-07 |
| angstroms | nanometres | * | 1.0E-01 |
| angstroms | picometres | * | 1.0E+02 |
| angstroms | femtometres | * | 1.0E+05 |
| picometres | centimetres | * | 1.0E-10 |
| picometres | millimetres | * | 1.0E-09 |
| picometres | nanometres | * | 1.0E-03 |
| picometres | angstroms | * | 1.0E-02 |
| picometres | femtometres | * | 1.0E+03 |
| femtometres | centimetres | * | 1.0E-13 |
| femtometres | millimetres | * | 1.0E-12 |
| femtometres | nanometres | * | 1.0E-06 |
| femtometres | angstroms | * | 1.0E-05 |
| femtometres | picometres | * | 1.0E-03 |
| reciprocal_centimetres | reciprocal_millimetres | * | 1.0E-01 |
| reciprocal_centimetres | reciprocal_nanometres | * | 1.0E-07 |
| reciprocal_centimetres | reciprocal_angstroms | * | 1.0E-08 |
| reciprocal_centimetres | reciprocal_picometres | * | 1.0E-10 |
| reciprocal_millimetres | reciprocal_centimetres | * | 1.0E+01 |
| reciprocal_millimetres | reciprocal_nanometres | * | 1.0E-06 |
| reciprocal_millimetres | reciprocal_angstroms | * | 1.0E-07 |
| reciprocal_millimetres | reciprocal_picometres | * | 1.0E-09 |
| reciprocal_nanometres | reciprocal_centimetres | * | 1.0E+07 |
| reciprocal_nanometres | reciprocal_millimetres | * | 1.0E+06 |
| reciprocal_nanometres | reciprocal_angstroms | * | 1.0E-01 |
| reciprocal_nanometres | reciprocal_picometres | * | 1.0E-03 |
| reciprocal_angstroms | reciprocal_centimetres | * | 1.0E+08 |
| reciprocal_angstroms | reciprocal_millimetres | * | 1.0E+07 |
| reciprocal_angstroms | reciprocal_nanometres | * | 1.0E+01 |
| reciprocal_angstroms | reciprocal_picometres | * | 1.0E-02 |
| reciprocal_picometres | reciprocal_centimetres | * | 1.0E+10 |
| reciprocal_picometres | reciprocal_millimetres | * | 1.0E+09 |
| reciprocal_picometres | reciprocal_nanometres | * | 1.0E+03 |
| reciprocal_picometres | reciprocal_angstroms | * | 1.0E+01 |
| nanometres_squared | angstroms_squared | * | 1.0E+02 |
| nanometres_squared | picometres_squared | * | 1.0E+06 |
| angstroms_squared | nanometres_squared | * | 1.0E-02 |
| angstroms_squared | picometres_squared | * | 1.0E+04 |
| angstroms_squared | 8pi2_angstroms_squared | * | 78.9568 |
| picometres_squared | nanometres_squared | * | 1.0E-06 |
| picometres_squared | angstroms_squared | * | 1.0E-04 |
| nanometres_cubed | angstroms_cubed | * | 1.0E+03 |
| nanometres_cubed | picometres_cubed | * | 1.0E+09 |
| angstroms_cubed | nanometres_cubed | * | 1.0E-03 |
| angstroms_cubed | picometres_cubed | * | 1.0E+06 |
| picometres_cubed | nanometres_cubed | * | 1.0E-09 |
| picometres_cubed | angstroms_cubed | * | 1.0E-06 |
| kilopascals | gigapascals | * | 1.0E-06 |
| gigapascals | kilopascals | * | 1.0E+06 |
| hours | minutes | * | 6.0E+01 |
| hours | seconds | * | 3.6E+03 |
| hours | microseconds | * | 3.6E+09 |
| minutes | hours | / | 6.0E+01 |
| minutes | seconds | * | 6.0E+01 |
| minutes | microseconds | * | 6.0E+07 |
| seconds | hours | / | 3.6E+03 |
| seconds | minutes | / | 6.0E+01 |
| seconds | microseconds | * | 1.0E+06 |
| microseconds | hours | / | 3.6E+09 |
| microseconds | minutes | / | 6.0E+07 |
| microseconds | seconds | / | 1.0E+06 |
| celsius | kelvins | - | 273.0 |
| kelvins | celsius | + | 273.0 |
| electrons_per_nanometres_cubed | electrons_per_angstroms_cubed | * | 1.0E-03 |
| electrons_per_nanometres_cubed | electrons_per_picometres_cubed | * | 1.0E-09 |
| electrons_per_angstroms_cubed | electrons_per_nanometres_cubed | * | 1.0E+03 |
| electrons_per_angstroms_cubed | electrons_per_picometres_cubed | * | 1.0E-06 |
| electrons_per_picometres_cubed | electrons_per_nanometres_cubed | * | 1.0E+09 |
| electrons_per_picometres_cubed | electrons_per_angstroms_cubed | * | 1.0E+06 |