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Old way of Space group determination: Difference between revisions
Old way of Space group determination (view source)
Revision as of 14:28, 18 December 2014
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The latest and currently easiest way of space group determination from a [[XDS]] formatted reflection file is ''via'' the [[pointless]] program: | The latest and currently easiest way of space group determination from a [[XDS]] formatted reflection file is ''via'' the [[pointless]] program: | ||
pointless xdsin XDS_ASCII.HKL | echo SETTING SYMMETRY-BASED | pointless xdsin XDS_ASCII.HKL | ||
From the latter pointless output, the correct space group should be deduced and CORRECT run with appropriate SPACE_GROUP_NUMBER | From the latter pointless output, the correct space group should be deduced and CORRECT run with appropriate SPACE_GROUP_NUMBER and UNIT_CELL_PARAMETERS. | ||
== Space group determination within XDS == | == Space group determination within XDS == | ||