Dear Tim,
On Tue, Jun 14, 2016 at 03:25:39PM +0200, Tim Gruene wrote:
> would anyone have a solution to visualise reflections along with their HKL-
> values from data integrated with XDS?
Yes - that is exactly what we are currently doing in autoPROC using
our GPX2 visualiser.
> The data format is PCK.
It is not quite clear to see what that means and what it is that is in
PCK format: diffraction images, reflection data (3D?), Miller indices
(HKL) ... something else?
> I guess one could create .x-files and use adxv?
Since last year we have provided a tool to compute predicted spot
positions and shapes (simcal_predict) and to visualize them (GPX2) as
part of autoPROC (http://www.globalphasing.com/autoproc/). It is
usually invoked automatically when processing data with XDS via
autoPROC, but you could also go from any XDS-processed data to
visualisation by using our "xparm2simin" and "simcal_predict"
programs. If you need any guidance on this, please let us know.
You can find more details about the ideas and theory behind the
simcal_predict/GPX2 visualisation capability in autoPROC at
https://www.globalphasing.com/autoproc/manual/simcal_predict_gpx2.html
and (for the latest release) at
http://www.globalphasing.com/autoproc/ReleaseNotes/ReleaseNotes-autoPROC_snapshot_20160501.txt
Maybe this (additional) possibility can help you.
With best wishes,
The autoPROC developers
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