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 Standard uncertainty of cell length b.
c Å Cell length c, as in _cell_length_c.
sigc Standard uncertainty of cell length c.
alpha degrees Cell angle α, as in _cell_angle_alpha.
sigalpha Standard uncertainty of cell angle α.
beta degrees Cell angle β, as in _cell_angle_beta.
sigbeta Standard uncertainty of cell angle β.
gamma degrees Cell angle γ, as in _cell_angle_gamma.
siggamma Standard uncertainty of cell angle γ.
vol Å3 Volume of the unit cell.
sigvol Standard uncertainty of the unit cell volume.
celltemp K Cell measurement temperature, as in _cell_measurement_temperature.
sigcelltemp Standard uncertainty of the 'celltemp' value.
diffrtemp K Temperature of intensity measurement, as in _diffrn_ambient_temperature.
sigdiffrtemp Standard uncertainty of the 'diffrtemp' value.
cellpressure kPa Pressure at which the unit cell parameters were measured, as in _cell_measurement_pressure.
sigcellpressure Standard uncertainty of the 'cellpressure' value.
diffrpressure kPa Mean hydrostatic pressure at which the intensities were measured, as in _diffrn_ambient_pressure.
sigdiffrpressure 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.