REFERENCE DATA SET: Difference between revisions

m add SPACE_GROUP_NUMBER and UNIT_CELL_CONSTANTS
m use the word "pseudo" in the description so the article can more easily be found
 
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Sometimes one wants to use a REFERENCE_DATA_SET which was not itself written out by XDS or XSCALE.
Sometimes one wants to use a REFERENCE_DATA_SET which was not itself written out by XDS or XSCALE, but was created by a different program. Since it is then not a true XDS_ASCII format file, we could call this a pseudo XDS_ASCII file.


For a file to be accepted as a REFERENCE_DATA_SET by XDS, it must minimally look like:
For a file to be accepted as a REFERENCE_DATA_SET by XDS, it must minimally look like: