[phenixbb] table 1
scjay2012 at hotmail.com
Mon Dec 3 22:27:09 PST 2012
Thank you so much. I had not supplied the log file. I will update to a nightly build version as well. SincerelyJay
> From: nechols at lbl.gov
> Date: Mon, 3 Dec 2012 22:20:54 -0800
> To: phenixbb at phenix-online.org
> Subject: Re: [phenixbb] table 1
> 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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> phenixbb at phenix-online.org
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