[phenixbb] table 1

Nathaniel Echols nechols at lbl.gov
Mon Dec 3 22:20:54 PST 2012

On Mon, Dec 3, 2012 at 8:45 PM, So Jay <scjay2012 at hotmail.com> wrote:
> I was using generate table 1 utility in phenix-1.8.1-1168. The data was
> processed with HKL2000 and model was refined using Autobuster.
> In the table I find two entries for Multiplicity and R-sym were blank.
> I was wondering if there is any particular reason for this.

 In 1.8.1, the program can't calculate multiplicity and R-sym on its
own, only extract these from logfiles.  Did you supply the scaling
logfile from HKL2000?  The important one is what accompanies your .sca
file (same name but ending in .log).  If you did include this, it's
quite possible that the logfile parser breaks somewhere, in which case
I'd be interested in seeing the file.

That said, I would recommend updating to the latest nightly build,
because the program has been improved significantly, partly just bug
fixes but also the ability to calculate merging statistics directly if
you also supply unmerged data (e.g. obtained using the "no merge
original index" macro for scaling in HKL2000, or output automatically
if you run xia2).  This is so much cleaner than parsing logfiles that
the latter feature will probably disappear eventually - it's just too
difficult to support over the long term.


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