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Space group determination: Difference between revisions
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== Space group selected by user == | == Space group selected by user == | ||
The resulting list (in CORRECT.LP) should give the user enough information to pick the correct space group herself. She may then put suitable lines with SPACE_GROUP_NUMBER=, UNIT_CELL_CONSTANTS= into XDS.INP and re-run the CORRECT step to obtain the desired result. | The resulting list (in CORRECT.LP) should give the user enough information to pick the correct space group herself. She may then put suitable lines with SPACE_GROUP_NUMBER=, UNIT_CELL_CONSTANTS= into XDS.INP and re-run the CORRECT step to obtain the desired result. (The REIDX= line is no longer required; XDS figures the matrix out.) | ||
== Space group selected by XDS == | == Space group selected by XDS == | ||