Date: Fri, 1 Jun 2001 20:18:11 -0500 (CDT)
From: Miguel Hesiquio Garduno [[email protected]]
To: "Yokochi, Alexandre" [[email protected]]
Cc: [email protected]
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: [email protected]
From: Armel Le Bail [[email protected]]
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/

Date: Wed, 13 Jun 2001 09:58:01 +0200
To: [email protected]
From: Markus Valkeap�� [[email protected]]
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 Valkeap��

---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 Valkeap��
Inorganic Chemistry, G�teborg University
Sweden
[email protected]