Simulating Data Collection w/ the DENZO Orient'n Matrix

Gitay Kryger kryger at rose.brandeis.edu
Mon Mar 6 15:03:11 EST 1995


Dear fellows,

Background of the problem:

   We are currently using the Rigaku software to analyze the data off
the R-AXIS detector but it causes us a lot of grief, to put it
mildly. We found DENZO to be a very powerful tool and we would like to
convert to this package.

The problem:

   We would like to keep, or find a good substitute, for the
'simulation' feature in the Rigaku package. This allows you to plan
the data collection scheme when prior knowledge or xtal morphology is
not available/visible.

The questions:

1. Can someone refer me to a program that can substitute for the
   'simulation' feature in the Rigaku package ? Something that will take
   the orientation matrix from DENZO, the number of frames and their scan
   range and output the theoretical completeness from a specific starting
   angle.

2. Does anybody knows how to convert the orientation matrix from DENZO
   to the one in the 'crystal.dat' ? In that case we would use the
   'simulation' part of the Rigaku package.

Thanks,

==============================================================================
Gitay Kryger		     Voice:  +1-617-736-4907
Rosenstiel Center	       Fax:  +1-617-736-2405
Brandeis University       Internet:  kryger at auriga.rose.brandeis.edu
Waltham, MA. 02254-9110     Bitnet:  KRYGER at BRANDEIS
U.S.A.			       WWW:  http://www.rose.brandeis.edu/users/kryger
==============================================================================





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