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Methods, Problems and Solutions

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

Using EXPGUI and EXCLEDIT to graphically exclude ranges of data in GSAS

The CCP14 Homepage is at http://www.ccp14.ac.uk

[Back to Problems and Solutions] | [Back to GSAS Hints/Resources]

[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).]

[The reference to cite in any resulting publications for using EXPGUI is: B. H. Toby, EXPGUI, a graphical user interface for GSAS, J. Appl. Cryst. (2001). 34, 210-213]

EXPGUI allows you to graphically exclude ranges using "Point and Click" via the mouse.


EXPGUI Homepage with download and installation information on EXPGUI for Windows and UNIX

Download FTP Site and Mirrors


Click here to download the example files used in this tutorial run-through


In EXPGUI, load the EXP file that you intend to graphically insert excluded regions. (the example file provided above is a combined X-ray / Neutron refinement)

EXPGUI Interface


Before trying to exclude regions, run Powpref.

To graphically exclude regions, via the EXPGUI menu, select Powder, excledit to bring up the EXCLEDIT screen.

EXCLEDIT Interface


Select the Histogram pattern of interest and then zoom up as required using "Click and Drag" via Mouse.

Zoomed EXCLEDIT Interface


Select the Add Region ICON. Point and click to add the excluded region and then confirm the selection.

Adding an excluded region

Adding an excluded region


Add any other excluded regions as required. Then select the Save & Finish ICON. When prompted, run Powpref to have the excluded region take effect.

Prompt to run Powpref after adding an excluded region


Now carry on with the refinement in EXPGUI as required.

Carry on with the refinement in EXPGUI


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