2,684
edits
REFERENCE DATA SET: Difference between revisions
no edit summary
(SPACE_GROUP_NUMBER required) |
No edit summary |
||
| Line 14: | Line 14: | ||
The columns do not have a specified width, and are separated by a blank (Fortran's free format). 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. | The columns do not have a specified width, and are separated by a blank (Fortran's free format). 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. | ||
''Please note that the REFERENCE_DATA_SET will only be used if SPACE_GROUP_NUMBER 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 ! | ||
'' | '' | ||