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Output new file format for SCD peaks #8677

Closed peterfpeterson closed 9 years ago

peterfpeterson commented 11 years ago

The protein guys would like a new format which Lauenorm can read in. Leighton tracked down [http://www.ccp4.ac.uk/cvs/viewvc.cgi/laue/doc/lauenorm.ptx?diff_format=s&revision=1.1.1.1&view=markup a document describing the format he wants]. From that:

Input_Files

Unit 21     LAUE001      Input Laue data file.  This  is  normally  a  card
                         image  file  with  one   record   per   reflection
                         (unmerged, unsorted data) containing the items:  h
                         k l lambda theta intensity and  sig(intensity)  in
                         format (3I5,2F10.5,2I10).  A  program  alternative
                         allows 'A' film data to be read from '.ge1' files.

.
Unit 22     LAUE002      "
Unit 23     LAUE003      "
      .           .      .
      .           .      .
.
Unit 4      PGDATA       Point group matrices dictionary file (CCP4)

Unit 10     SYMOP        Space group symmetry operators file (CCP4)

Unit 5      DATA         Control data file
peterfpeterson commented 9 years ago

This issue was originally trac ticket 7832