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REFERENCE DATA SET: Difference between revisions
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SPACE_GROUP_NUMBER required
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(SPACE_GROUP_NUMBER required) |
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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 ! | |||
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