Jan. 10, 1997
A few more bugs have come to light.
1. The WinNT/Win3.1/DOS GSAS shell needed some additional items added to the
menus. These include FITSPEC,REF2ASC, REF2BIN and VRSTPLOT. The color menu was
also fixed.
2. VRSTPLOT now produces a Fourier map contour net as one of its options for
drawing. The selection of atoms in a unit cell is now more general. One should
watch the number of contour lines produced by the Fourier option. If there are
more than 150-200 contours then many VRML viewers will have trouble
particularly on low-end machines. However, one can set VRSTPLOT to plot small
parts of a crystal structure and thus get around this problem when working on a
large structure (zeolite NaX comes to mind).
3. There are two new background functions; these are like the linear
interpolation fixed background subtraction except that the points are at fixed
intervals and the value at each point is refinable. They are really good if one
doesn't want to bother with working out which of the others is more reasonable.
However, they can be dangerous if a lot of terms is used.
4. The source codes for a number of powder data conversion utilities are in the
directory \gsas\codes. There are no guarantees they will work on a PC or even
that they will compile.
5. The maximum number of profile points for one powder histogram is now 50,000.
That's to keep those folks at ESRF and APS happy.
6. Refinement of structural parameters with energy dispersive data is now
possible. When someone works out incident intensity corrections, etc. for this
type of data, could they let everyone else know?
That's all for now.
Bob Von Dreele