Re: Plots from GSAS

Jaap Vente ( jaap.vente@inorganic-chemistry.oxford.ac.uk )
Mon, 30 Jun 1997 10:57:41 +0100 (BST)

Dear All

I have a routine available in IGOR PRO, this will make straight away very
nice plots from GSAS data using hstdmp and reflist. It will show tick
marks and all. Plus choices of font etc, and a wide variety of data is
excepted, TOF, and CW, neutron and X-rays. Further i have got two programs
which does do a bit of reformating of the files obtained, in also solves a
bug in HSTDMP when the TOF exceeds 100msecs.

Please contact me if you are interested.

Jaap Vente

On Wed, 25 Jun 1997, Srebri Petrov wrote:

> Hi everybody!
>
> I have the same problem like Miguel, trying to make some "nice-looking"
> graphic presentations from GSAS results.
> In GSAS there is a nicely routine, called "HSTDMP" which transfers all plot
> data in an ASCII file format. Next step could be if someone can make a
> simple converting code, that can order these data in a standard XY format.
> Thus, a common Windows graphic routines, such as Sigma Plot, Origin, MS
> Excel etc. can be used for a nice plots.
> With such converting routine, the data from that GSAS ASCII file may be easy
> imported into a five columns spread sheet:
> 1 column: X-data (2-theta values)
> 2 column: Peaks positions (marked in 2-theta, and plotted as tasks under
> the patterns)
> 3 column: Y obs
> 4 column: Y cal
> 5 column: Difference
> I think, if someone can make this conversion routine, it would be highly
> appreciate from many Rietveld users. Whoever this person will be, thanks in
> advance,
>
> Srebri
> -----------------------------------------------------------------------
>
> Srebri Petrov, Ph.D.
> Manager, X-ray Powder Diffraction Lab
> Dept. of Chemistry/University of Toronto
> 80 St.George Str., R.417
> Toronto ON M5S 3H6
> Tel/Fax: (416)-978-1389.
>
>

Jaap Vente
Inorganic Chemistry Laboratory
University of Oxford
South Parks Road
Oxford, OX1 3QR
United Kingdom
E-mail: Jaap.Vente@ICL.OX.AC.UK
tel: (..44)(0)1865-272602
Fax: (..44)(0)1865-272690