[buster-discuss] free R flag questions

[wtempel]

Hello.
Here are some excerpts from stdout of an initial autobuster "refine" run.
<excpt>
 ################################ Basic checks
################################


 ESC[1mNOTEESC[m : running with the following command line arguments:
        "-p ../201009222206.pdb -m ../output_PHENIX0phs2.mtz
        -autoncs ColumnName_FreeR_flag=Free-Phenix -R 30
        2.58"

</excpt>

During the first autobuster run, the ccp4 program unique seems to be
invoked. And I get this warning:

<excpt>
 ESC[1mWARNINGESC[m : had to create a fresh test-set column - usually
           the MTZ file should already contain this!

 F/SIGF pairs : FP,SIGFP

 ##############################################################################

 # refining against FP,SIGFP with: Free-Phenix
 ##############################################################################
</excpt>

Can I ignore this warning regarding the "fresh test-set column"? Will that
new test-set column be used in any way?
And related to this, is there some command line switch that allows me to
specify a non-0.00 value that flags  "free" reflections?

Many thanks,
Wolfram Tempel
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