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Hi Michael,<br>
<br>
yes - only if you have exactly matching datasets. For example one MTZ
(or any other format) file with Fobs and another MTZ (or any other
format) file with free-R flags; and the hkl indices in both files are
identical. Otherwise, no.<br>
<br>
I'm not sure, may be Ralf or Peter have some scripts to do this - I
remember someone asked for this, but may be I'm wrong...<br>
<br>
Pavel.<br>
<br>
On 8/20/2008 9:35 AM, Michael Hothorn wrote:
<blockquote cite="mid:48AC47B4.7000807@hothorn.de" type="cite">
<pre wrap="">Hi Pavel,
I'd like to add a question to this. Is there a way in phenix to inherit
the test reflections from another reflection file i.e. in .mtz format?
thanks
Michael
Pavel Afonine wrote:
</pre>
<blockquote type="cite">
<pre wrap="">Hi Francis,
it is always the best to generate the free R flags for the whole dataset
and this is what phenix.refine does (I will have to double-check,
though). Because, for example, if you change your mind and later decide
to use more data, you will run into trouble with generating free R flags
for the rest of reflections for which you haven't done it in the beginning.
Also, phenix.refine generates free R that are evenly distributed over
the resolution, making sure that relatively thin resolution bins receive
enough of reflections (to assure correct ML estimations).
So, I don't see any problem here... Am I missing something?
Pavel.
On 8/20/2008 8:58 AM, Francis E Reyes wrote:
</pre>
<blockquote type="cite">
<pre wrap="">Hi all
When generating R-Free flags from phenix refine, flags are generated
all the way to the limit of the data. However, shouldn't flags be
generated up to the limit of the data if specified via
refinement.input.xray_data.high_resolutio
n ? If not, are the statistics for R/Rfree matching to high resolution
data that may be suspicious ?
Thanks
FR
---------------------------------------------
Francis Reyes M.Sc.
215 UCB
University of Colorado at Boulder
gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D
8AE2 F2F4 90F7 9640 28BC 686F 78FD 6669 67BA 8D5D
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