[GSAS-II] new feature: map contour plot

Von Dreele, Robert B. vondreele at anl.gov
Thu Apr 18 09:55:27 CDT 2019


Hi,

There is a new feature in GSAS-II for displaying a contour plot of the scattering density, e.g. "Fourier map". The contour plot covers a 10A x 10A square centered on the structure view point and in the plane perpendicular to the viewing direction. These are set by mouse movements or by specific entries on the Draw Options tab. The contours will rapidly change as the view is changed via mouse movements so finding a "nice" view is easy. The slider control adjusts the maximum contour level; this facilitates seeing light atoms in the presence of heavy ones. Below is an example; atoms behind plane are faded relative to those in front and you have full control on the appearance of the atoms (balls, balls & sticks, etc.) and their sizes. The green dot density map can be also plotted along with the contours.

[contour plot          image]

Enjoy,

Bob Von Dreele

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