Non-sence R value with xtal_submit

DeJean jan at ultr5.vub.ac.be
Wed Nov 27 09:26:01 EST 1996


Ave,

we're trying to use the xtal_submit script which is new in the latest
Xplor release. Great thing, if only it would give us reasonable R values.
The final pdb file after refinement has R (free) of 22 (25).

Unfortunately, when running the xtal_submit thingie, the output gives
us R values of arround 38. We are wondering if anybody else has had
similar peculiar results and/or could give us hints to what might be
going wrong.

The possible obvious errors (cell-param, param-files, topol-files,
pdb-file, psf-file, reflection-file) were checked by a few people
already.

Thanks in advance,

Greetings,

--
DeJean                                             http://ultr.vub.ac.be/~jan



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