REFERENCE DATA SET: Difference between revisions
m add "quit" to sftools commands to avoid error message |
m add SPACE_GROUP_NUMBER and UNIT_CELL_CONSTANTS |
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<pre> | <pre> | ||
!FORMAT=XDS_ASCII | !FORMAT=XDS_ASCII | ||
!UNIT_CELL_CONSTANTS= 78 78 78 90 90 90 ! fill in correct values | |||
!SPACE_GROUP_NUMBER= 199 ! fill in correct spacegroup number | |||
!NUMBER_OF_ITEMS_IN_EACH_DATA_RECORD= 5 | !NUMBER_OF_ITEMS_IN_EACH_DATA_RECORD= 5 | ||
!ITEM_H=1 | !ITEM_H=1 | ||