Date: Tue, 12 Jun 2001 17:28:00 +0530 (IST)
From: Somasundaram Murugesan [smurug@igcar.ernet.in]
To: Rietveld Users Mailing List [rietveld_l@ill.fr]
Subject: format for x-ray data
Dear all,
I am using fullprof for refine the powder data, only refine the cell
parameters, then I would like to use hkl file to expo programe, how I will
give that hkl file to expo. Plese tell me the format.
Thanks in advance!
with regards
Murugesan
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Date: Fri, 1 Jun 2001 20:18:11 -0500 (CDT) From: Miguel Hesiquio Garduno [miguelhg@esfm.ipn.mx] To: "Yokochi, Alexandre" [alex.yokochi@orst.edu] Cc: rietveld_l@ill.fr Subject: Re: Bond lengths in Fullprof Hi Alexandre: About the problem with runnin fullprof: You have to write in the autoexec.bat file this: Set c:\fullprof\fp98 if your program is in the subdirectory fullprof and if it is fullprof 98 Also, if you have the newest version maybe this is the problem, try to use the version of october 1998. Miguel Hesiquio ESFM-IPN Mexico |
Date: Tue, 12 Jun 2001 14:50:03 +0200
To: rietveld_l@ill.fr
From: Armel Le Bail [armel@fluo.univ-lemans.fr]
Subject: Re: format for x-ray data
> I am using fullproof for refine the powder data, only refine the cell
>parameters, then I would like to use hkl file to expo programe, how I will
>give that hkl file to expo. Plese tell me the format.
According to the Fullprof manual :
JLKH=-2
--> Output for EXPO
h,k,l,Fwhm,F2
ALB
http://www.cristal.org/
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Date: Wed, 13 Jun 2001 09:58:01 +0200 To: rietveld_l@ill.fr From: Markus Valkeapää [valkeapa@inoc.chalmers.se] Subject: Re: format for x-ray data Hi! About the Fullprof hkl-file and Expo: below is a input file for Expo that includes the unit cell information. Maybe that helps. Even if not directly what you asked, with that you can give the unit cell information to Expo. Raw data format "(10i8)" is the DBW-type (INSTRUMENT = 0 in WinPLOTR i.e. Ins = 0 in pcr-file). Best Regards, Markus Valkeapää ---clip--- %window %structure my_structure %job my_structure, powder x-ray data etc. %init %data jump >format (10i8) pattern datafile.dat range 4.00 139.92 .08 cell 3.8482 3.8482 3.8814 90.0 90.0 90.0 content my_atom1 1 my_atom2 1 my_atom 3 wave your_wavelenght space p -4 %extraction %continue %end ---clip--- Markus Valkeapää Inorganic Chemistry, Göteborg University Sweden valkeapa@inoc.chalmers.se |