REFERENCE DATA SET

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.