2,652
edits
IDXREF: Difference between revisions
Jump to navigation
Jump to search
m
no edit summary
mNo edit summary |
|||
| Line 5: | Line 5: | ||
# uses the cell thus obtained to evaluate possible alternative origins of reciprocal space close to the one that is calculated from ORGX ORGY | # uses the cell thus obtained to evaluate possible alternative origins of reciprocal space close to the one that is calculated from ORGX ORGY | ||
# evaluates all possible Bravais lattices corresponding to the primitive unit cell (and gives the unit cell parameters and [[reindexing]] transformation for that lattice) | # evaluates all possible Bravais lattices corresponding to the primitive unit cell (and gives the unit cell parameters and [[reindexing]] transformation for that lattice) | ||
# based on the values of UNIT_CELL_PARAMETERS, SPACE_GROUP_NUMBER | # based on the values of UNIT_CELL_PARAMETERS, SPACE_GROUP_NUMBER and REFINE(IDXREF) refines the geometry describing the diffraction experiment and writes the result to XPARM.XDS | ||
As an alternative to UNIT_CELL_PARAMETERS, one may specify UNIT_CELL_A-AXIS, UNIT_CELL_B-AXIS, UNIT_CELL_C-AXIS (with parameters from a previous XDS job). This serves to to maintain a consistent indexing scheme between several data sets taken from the same crystal in the same orientation. | |||
== See also == | == See also == | ||