refine the reflection file
huazq at IRIS.LSC.PKU.EDU.CN
Mon Jan 27 05:38:13 EST 1997
I am a new learner of x-plor. A few weeks ago , I got a set of
reflection file for a crystal, but the data is not very good .
I want to refine the reflection file and I think the file
resolution_dependent.inp and setup_bulksol.inp in xplor3.8 could
do this job. Now I have four questiones to bother you :
( 1 ). When I run the resolution_dependent.inp , the output reflection
data contains weighting term . Could anyone tell me the range of
weights which is reasonable .
( 2 ). Conld the input reflection file of the setup_bulksol.inp be
the output reflection file of resolution_dependent.inp . If it is reasonable
, which file could I use in the slow cooling step ? ( the slowcool_resdep.inp
file or the slowcool_with_bulk.inp file ? )
( 3 ). Mr. Jiansheng Jiang had told the way to obtain the missing
data . Does the resolution_dependent refinement contains this job ?
( 4 ). Could anyone told me any other way to refine reflection file ?
Any advice is welcome .
Thanks in advance for your help.
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