Space group determination: Difference between revisions

Line 70: Line 70:


== Influencing the selection by XDS ==
== Influencing the selection by XDS ==
=== parameters ===
=== keywords and parameters ===
The automatic choice is influenced by a number of decision constants that may be put into XDS.INP but which have defaults as indicated below:
The automatic choice is influenced by a number of decision constants that may be put into XDS.INP but which have defaults as indicated below:
* MAX_CELL_AXIS_ERROR= 0.03      ! relative deviation of unconstrained cell axes from those constrained by lattice symmetry
* MAX_CELL_AXIS_ERROR= 0.03      ! relative deviation of unconstrained cell axes from those constrained by lattice symmetry
2,684

edits