RE: Single peak fitting in GSAS

van Mechelen, Jan SIC-CTAN/2 ( (no email) )
09 Mar 1998 14:56:46 +0100

Bob,
I have tried to run the powderpattern fitting routine, but I got an
error message after I gave the desired bank nr. : "instrument parameter
set not found for this bank". How can I come around this message?

Groeten, regards. Jan van Mechelen
Shell International Chemicals B.V., Amsterdam. (CTANL-2)
Badhuisweg 3, 1031 CM Amsterdam / PO Box 38000, 1030 BN Amsterdam
Tel.:+31 20630 2196; Fax: +31 20630 2911;
email: jan.b.vanMechelen@opc.shell.com

>----------
>From:
> vondreele@popler.lansce.lanl.gov[SMTP:vondreele@popler.lansce.lanl.gov]
>Reply To: RIETVELD_L Distribution List
>Sent: 1998-03-05 9:35 PM
>To: rietveld_l@ill.fr
>Subject: Single peak fitting in GSAS
>
>Hi,
>For those that may be interested, I have modified "RAWPLOT" to allow
>fitting of up to 30 single peaks in a powder pattern using the GSAS profile
>functions. This facility works for CW x-ray, CW neutron, TOF neutron &
>X-ray EDS data. Ka1-Ka2 doublets are also fitted, but make sure the
>instrument parameter file includes KRATIO. The RAWPLOT.EXE file can be
>downloaded from the "DOS" subdirectory in the anonymous ftp site for GSAS
>(mist.lansce.lanl.gov). It is not yet part of GSASKIT.EXE. Please give it a
>try and let me know what you think (especially about bugs!)
>Bob Von Dreele
>