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Methods, Problems and Solutions

GSAS (General Structure Analysis System) Rietveld powder diffraction and Single Crystal software

GSAS - structure factors from GSAS

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[The reference to use for GSAS in any resulting publications is: A.C. Larson and R.B. Von Dreele, "General Structure Analysis System (GSAS)", Los Alamos National Laboratory Report LAUR 86-748 (1994).]

Structure factors from GSAS

Via Rietveld Mailing List 

Date: Thu, 22 Jun 2000 16:19:53 -0230
Organization: Memorial University of Newfoundland
To: Rietveld Distribution List [[email protected]]
Subject: structure factors from GSAS
Precedence: list

Hi,

Does anyone know how to obtain a list of  structure factors from GSAS
calculated from the starting model, and without any corrections?

Thanks,

Roger Mason
 

Date: Thu, 22 Jun 2000 14:57:22 -0600
From: [email protected] (Bob Von Dreele)
To: RIETVELD_L Distribution List [[email protected]]
Subject: Re: structure factors from GSAS
Precedence: list

Roger (and others),
The values of FCTSQ listed by REFLIST are "pure" crystallographic structure
factors based on the model. To get them for the starting model for the
least squares do zero cycles.
Bob Von Dreele

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