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IDXREF: Difference between revisions
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# as a control, prints out indices (which should be close to integer numbers) corresponding to difference vectors | # as a control, prints out indices (which should be close to integer numbers) corresponding to difference vectors | ||
# 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 and REFINE(IDXREF) refines the geometry describing the diffraction experiment and writes the result to XPARM.XDS | # 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 | ||