[pdDMG] CIFs for powder diffraction/Software testing

["Brian H. Toby" <brian.toby@nist.gov>]

Friends,

The IUCr is now recommending that strongly urging authors of powder 
diffraction-based submissions to the Acta Cryst. & J. Appl. Cryst. 
Journals submit observed and computed diffraction patterns in CIF (see 
http://journals.iucr.org/services/cif/powder.html). I suspect this may 
be of interest to the Rietveld and pdDMG mailing lists, where I am 
posting this message and further leads me into the main subject of this 
e-mail:

At present, to my knowledge, there is exactly one program that can be 
used to read & plot powder diffraction data from these CIFs: pdCIFplot 
(see open access paper at *http://www.iucr.org/cgi-bin/paper?aj0008*). 
My hope is that folks who review Rietveld papers will use pdCIFplot as 
part of that process when the data are available in CIF.

The pdCIFplot & CIFEDIT programs are packaged together as NCNR CIFTOOLS. 
The latest release of this software (which now contains system-specific 
releases for Windows, Mac, Linux and SGI) is indended to go into the 
software collection for Volume G of the International Tables. From a 
selfish perspective, that I would rather not have my software bugs 
preseved for posterity, I would love to see this software be tested very 
soon.

Installation instructions: 
http://www.ncnr.nist.gov/xtal/software/cif/ciftools.html

An overview of the programs: http://www.ncnr.nist.gov/xtal/software/cif/

The distributions are:
ftp://ftp.ncnr.nist.gov/pub/cryst/cif/ciftools.exe (Windows)
ftp://ftp.ncnr.nist.gov/pub/cryst/cif/ciftools.dmg (Mac)
ftp://ftp.ncnr.nist.gov/pub/cryst/cif/ciftools_Linux.tar.gz (Intel-Linux)
ftp://ftp.ncnr.nist.gov/pub/cryst/cif/ciftools_SGI.tar.gz (MIPS-IRIX)
(Also on CCP14).

Brian

********************************************************************
Brian H. Toby, Ph.D.                    Leader, Crystallography Team
Brian.Toby@NIST.gov      NIST Center for Neutron Research, Stop 8563
voice: 301-975-4297     National Institute of Standards & Technology
FAX: 301-921-9847                        Gaithersburg, MD 20899-8563
                http://www.ncnr.nist.gov/xtal
********************************************************************


_______________________________________________
pdDMG mailing list
pdDMG@iucr.org
http://scripts.iucr.org/mailman/listinfo/pddmg