.... this wasn't for the list, just for Bob - sorry!
Clarification: The comments on MAUD are of course related to HIPPO
data - it works great, the comment on slowness relates to the
mentioned triclinic texture where it took several days more than GSAS
to get to a completed refinement. The comment on the lack of
automation also relates to more complex cases (multiple phases, low
symmetry, combined structure and texture refinements occuring all
together) - the wizard is fully functional for single phase and
simple multi phase textures and works splendid.
Again, sorry for the post, have a nice weekend!
Sven
At 16:27 5/11/2007, you wrote:
Hi Bob,
I am not yet using the latest version (I am analyzing textures of a
triclinic phase since a week, so there is always something running),
but the bugs I believe I found are reasonably far away from the
mainstream and your reported updates that they are probably still in
the current version:
- when I do spherical harmonics analysis with two phases and I am in
the harmonics menu (o o h), I have to issue "p 2" twice to get to
the 2nd phase, the first time it just lists phase 1 coefficients
again. Not a big deal, just my scripts needed some updating for two
phase texture fits (which makes me think that that bug hasn't been
there always).
- when I use my vacuum measured Vanadium spectrum as I_inc (Type
10), RAWPLOT refuses to normalize. POWPLOT does it correctly, so the
file is there, the IPARM file should be good etc. RAWPLOT just gives
the non-normalized spectrum.
BTW: MAUD is getting useful now, just slow, not automatable etc. I
seem to have a case where spherical harmonics in GSAS and MAUD give
a significantly different answer than WIMV in MAUD, just FYI. Also
FYI - HIPPO DAQ is moving to Linux, we'll see how that goes. One
advantage is supposedly that we'll get save times of the order of a
few seconds now. Frans has taken over a lot of the DAQ stuff.
have a nice weekend!
Sven
At 15:26 5/3/2007, you wrote:
Hi All,
New versions of GSAS for Windows and Fedora-5 have been placed on
the CCP14 web server. The changes are as follows:
May 2, 2007
1. A new record in the .EXP file has been defined:
'HSTnn NFOBS' the number of observed reflections for each phase in
a histogram.
2. REFLIST now can prepare a 'hkl' file suitable for the protein
software CNS.
Apr. 14, 2007
1. Fix bug in reading 'ALT' style raw powder data. Other types read
correctly.
2. Fix bug in output for .PVE files; the cell angles were missing.
3. Modify SeqGSAS so that it can process data sets in reverse and
over limited sets of data. Some small changes to Seqplot.
As usual let me know of bugs, "features", etc. you may find. The
RedHat Enterprise & MacOSX versions will be made later.
Best,
Bob Von Dreele
