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REFERENCE DATA SET: Difference between revisions
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for XSCALE usage
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(for XSCALE usage) |
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''Please note that the REFERENCE_DATA_SET will only be used if SPACE_GROUP_NUMBER > 0 is specified in XDS.INP !'' | ''Please note that the REFERENCE_DATA_SET will only be used if SPACE_GROUP_NUMBER > 0 is specified in XDS.INP !'' | ||
For use with XSCALE, the file must look like e.g.: | |||
<pre> | |||
!FORMAT=XDS_ASCII | |||
!NUMBER_OF_ITEMS_IN_EACH_DATA_RECORD= 5 | |||
!ITEM_H=1 | |||
!ITEM_K=2 | |||
!ITEM_L=3 | |||
!ITEM_IOBS=4 | |||
!ITEM_SIGMA(IOBS)=5 | |||
!END_OF_HEADER | |||
1 0 4 48445. 983.361 | |||
1 0 5 2124.59 283.825 | |||
1 0 6 17955. 493.356 | |||
1 0 7 19328. 510.718 | |||
1 0 8 87172. 3437.40 | |||
... | |||
... | |||
!END_OF_DATA | |||
</pre> | |||