Re: [sdpd] powder indexing.. - N-TREOR

[Armel Le Bail <alb...@cristal.org>]

Hello,

About indexing in general, the advice could be to
use first TREOR90 or N-TREOR, then DICVOL04,
then CRYSFIRE, then McMaille, in that order. You
may obtain solution and confirmation with the first
two, before to try CRYSFIRE and McMaille (being
respectively a bit difficult to use and too slow).

See sessions 2 and 3 of the SDPD Internet Course
about indexing at :
http://www.cristal.org/DU-SDPD/indexa.html

I just obtained the permission from P.-E. Werner
to redistribute N-TREOR inside of the SDPD Internet
Course stuff. You can find this special version
developed for EXPO as a standalone program at:
http://www.cristal.org/DU-SDPD/ftp/n-treor.zip

Best wishes,

A. Le Bail

PS - Indexing capablities are also included now into
MAUD (freeware as well), moreover, several excellent
commercial programs are on the market (inside of TOPAS,
etc)

At 13:07 16/05/2006 -0700, you wrote:

>  Dear all,
>
>  Please, Could you help me about my problem? I
>synthesis organic compounds (not large molecules) and
>I determine of the structures with spectroscopic
>methods especially X-ray diffraction but everytime I
>can not find a single crystal. I use powder X-ray
>diffractometer so for a long time I have researched
>powder indexing programs and I have find some programs
>but I do not know how are usefull for  me.  It is very
>important for this topic. I want to determine lattice
>parameters and  space group for unknown organic
>compounds so Could you suggest me a method and some
>programs? Thank you very much for your indeed.
>
>  Funda



------------------------ Yahoo! Groups Sponsor --------------------~--> 
Protect your PC from spy ware with award winning anti spy technology. It's free.
http://us.click.yahoo.com/97bhrC/LGxNAA/yQLSAA/UIYolB/TM
--------------------------------------------------------------------~-> 

 
Yahoo! Groups Links

<*> To visit your group on the web, go to:
    http://groups.yahoo.com/group/sdpd/

<*> To unsubscribe from this group, send an email to:
    sdpd-unsubscribe...@yahoogroups.com

<*> Your use of Yahoo! Groups is subject to:
    http://docs.yahoo.com/info/terms/