REFERENCE DATA SET: Difference between revisions
Jump to navigation
Jump to search
(Created page with "For a file to be accepted as a REFERENCE_DATA_SET by XDS, it must look like: !FORMAT=XDS_ASCII !END_OF_HEADER 1 0 4 48445. 983.361 1 0 5 2124.59 283.825 ...") |
(No difference)
|
Revision as of 21:53, 27 June 2013
For a file to be accepted as a REFERENCE_DATA_SET by XDS, it must look like:
!FORMAT=XDS_ASCII !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
Such a file, which I would call "fake XDS_ASCII" can be easily obtained. Additional columns besides h k l I sigI will be ignored. Anomalous data in that file will be treated as required by the setting of FRIEDEL'S_LAW in XDS.INP.