[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
RE: [sdpd] Recent Congress and comiing ones about SDPD
I have seen three responses in this thread, but not the original email! Does anybody else experience these problems?
Jens
-----Original Message-----
From: Jon Wright [mailto:wright...@esrf.fr]
Sent: 23. september 2003 18:10
To: sdpd...@yahoogroups.com
Subject: Re: [sdpd] Recent Congress and comiing ones about SDPD
>... So where are
>these software available
>
Prodd remains available somewhere on ccp14 and just needs an "L PKCN
CELL" card for each pattern to do the anisotropic thermal expansion
stuff (together with L REFI DILS for intensity extraction). For lab
x-ray data it still needs the lorentz factors sorting out, but there has
yet to be a request to use the program with lab data. The difference is
only the lorentz/polarisation factor, so if you have a monochromator and
only alpha1 then you can just correct the data afterwards, pretending it
was really constant wavelength neutron. One day this might get fixed,
but I've always been nervous about the wide variety of diffractometer
configurations which ought to be treated, let alone misalignments. In
practice, I believe you can achieve about the same effect by using the
same hkl file for several different lebail fits in fullprof and only
doing one or two cycles at a time, then switching the hkl file to the
next temperature. If you have access to source of something then you
just make the summing totals the same for each pattern in a multipattern
fit (make the hkl lists of subsequent patterns point back to the first
pattern).
I still don't really recommend Prodd for general consumption, but if
someone does try to use it, drop me a line to let me know how you get on
and eventually an updated manual could emerge.
You forgot to mention the progress in indexing...? Seems like impurity
lines are no longer a problem ;-)
Cheers,
Jon
Yahoo! Groups Sponsor
ADVERTISEMENT
<http://rd.yahoo.com/M=194081.3897168.5135684.1261774/D=egroupweb/S=1705083412:HM/A=1706996/R=0/SIG=11p5b9ris/*http://www.ediets.com/start.cfm?code=30509&media=atkins> click here
<http://us.adserver.yahoo.com/l?M=194081.3897168.5135684.1261774/D=egroupmail/S=:HM/A=1706996/rand=415446268>
Your use of Yahoo! Groups is subject to the Yahoo! Terms of Service <http://docs.yahoo.com/info/terms/> .
[Non-text portions of this message have been removed]
------------------------ Yahoo! Groups Sponsor ---------------------~-->
Buy Ink Cartridges or Refill Kits for your HP, Epson, Canon or Lexmark
Printer at MyInks.com. Free s/h on orders $50 or more to the US & Canada.
http://www.c1tracking.com/l.asp?cid=5511
http://us.click.yahoo.com/mOAaAA/3exGAA/qnsNAA/UIYolB/TM
---------------------------------------------------------------------~->
Your use of Yahoo! Groups is subject to http://docs.yahoo.com/info/terms/