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 Å3 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.