2,684
edits
Old way of Space group determination: Difference between revisions
Old way of Space group determination (view source)
Revision as of 15:32, 24 February 2008
, 24 February 2008→Space group determination with ''pointless''
| Line 1: | Line 1: | ||
== Space group determination with ''pointless'' == | == Space group determination with ''pointless'' == | ||
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 | 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, UNIT_CELL_PARAMETERS and REIDX. | From the latter pointless output, the correct space group should be deduced and CORRECT run with appropriate SPACE_GROUP_NUMBER, UNIT_CELL_PARAMETERS and REIDX (from [[IDXREF.LP]]). | ||
== Space group determination within XDS == | == Space group determination within XDS == | ||