COD MySQL database schema
data table
Name | Units | Description |
---|---|---|
file | ID | |
a | Å | cell length a, as in _cell_length_a |
siga | sigma value for cell length a. | |
b | Å | cell length b, as in _cell_length_b |
sigb | sigma value for cell length b. | |
c | Å | cell length c, as in _cell_length_c |
sigc | sigma value for cell length c. | |
alpha | degrees | cell angle α, as in _cell_angle_alpha |
sigalpha | sigma value for cell angle α. | |
beta | degrees | cell angle β, as in _cell_angle_beta |
sigbeta | sigma value for cell angle β. | |
gamma | degrees | cell angle γ, as in _cell_angle_gamma |
siggamma | sigma value for cell angle γ. | |
vol | Å^{3} | volume of the unit cell |
sigvol | sigma value for volume of the unit cell | |
celltemp | K | cell measurement temperature, as in _cell_measurement_temperature |
sigcelltemp | the standard uncertainty of the 'celltemp' value | |
diffrtemp | K | temperature of intensity measurement, as in _diffrn_ambient_temperature |
sigdiffrtemp | the standard uncertainty of the 'diffrtemp' value | |
cellpressure | kPa | the pressure at which the unit cell parameters were measured, as in _cell_measurement_pressure |
sigcellpressure | the standard uncertainty of the 'cellpressure' value | |
diffrpressure | kPa | the mean hydrostatic pressure at which the intensities were measured, as in _diffrn_ambient_pressure |
sigdiffrpressure | the standard uncertainty of the 'diffrpressure' value | |
formula | summary formula as in _chemical_formula_sum | |
calcformula | summary formula, calculated by ?cif cell contents | |
nel | number of different elements in the chemical formula | |
sg | Hermann-Mauguin space-group symbol as in _symmetry_space_group_name_H-M | |
sgHall | Hall space-group symbol as in _symmetry_space_group_name_Hall | |
duplicateof | ID of a structure, which is duplicated in this entry. Empty if none. | |
optimal | ID of a structure, which is ?optimal from a point of view of a current structure. Empty if none. | |
status | one of: [ "?warnings", "errors", "?retracted" ] | |
flags | combination of: [ "?has coordinates", "?has disorder", "?has Fobs" ] | |
text | structure names and bibliography, used for textual search | |
svnrevision | revision of entry in the COD Subversion repository | |
date | date of deposition or last update | |
time | time of deposition or last update | |
onhold | end date of hold period for ?prepublication entries. Empty if not applicable. |
XML description of the fields can be found at http://www.crystallography.net/cod/xml/documents/database-description/database-description.xml.