Hello, The 19th European Crystallographic Meeting is now over. I did not go, but I am reading the abstracts (the book of abstracts, since I have not found any...
392
L.M.D.Cranswick@...
Sep 7, 2000 4:37 pm
... Hope this is not a repeat of common information already well known: "Advanced methods for structure Determination from Powder Data" Tuesday afternoon in...
393
Shankland, K (Kenneth)
k.shankland@...
Sep 7, 2000 4:57 pm
Hi Lachlan, I gave an invited talk at EPDIC in Barcelona on recent applications of DASH in the area of pharmaceuticals, and Robert Dinnibier gave a talk on the...
394
Armel Le Bail
alb@...
Sep 8, 2000 7:56 am
... Crystallography programs have all in common that tedious part. They cannot guess the space group, the cell parameters, the wavelenght, and depending of the...
395
Armel Le Bail
armel@...
Sep 11, 2000 4:03 pm
This mail for the SDPD Internet Course students (and those willing to be). The Web pages presenting the course have been updated and slightly modernized. The...
396
Armel Le Bail
armel@...
Sep 15, 2000 1:34 pm
Hello, Hopefully, many subscribers to this mailing list are teachers. Distance Learning (DL) courses are not so frequent in my country so that administration...
397
XIA Changtai
cxia@...
Sep 15, 2000 5:08 pm
Dear All, What does "separator missing" mean in Fullprof ? I also wish to know how to set the "initial thermal parameters" in a first Rietveld Refinement try. ...
398
Armel Le Bail
armel@...
Sep 16, 2000 3:30 pm
Apparently, the anti-spam policy of ESRF has prohibited any email coming from egroups.com. So that, we should say good bye to them. I would recommend them to...
399
Armel Le Bail
armel@...
Sep 17, 2000 2:49 pm
... I never encountered that error. In the Fortran source code (Ffaux.for), it is question of having a blank or a tab in first position, but it is not clear...
400
Armel Le Bail
armel@...
Sep 19, 2000 8:09 am
Not too late for participating to the Size Strain Round Robin. Deadline for returning the results for the first sample to Davor Balzar, the Round Robin...
401
XIA Changtai
cxia@...
Sep 23, 2000 4:17 pm
Dear All, I'm learning to use GFourier. Anyone who could share his (her) experience with me will be greatly appreciated! Is there any tutorial somewhere? ...
402
Armel Le Bail
armel@...
Sep 24, 2000 2:58 pm
... No tutorial to my knowledge. Even not at CCP14... The trick is to make prepare by Fullprof the .inp file necessary in GFourier. This is made by choosing...
403
L.M.D.Cranswick@...
Sep 24, 2000 4:30 pm
... Yes - no tutorial as yet on CCP14. Though as a comparison - Single crystal programs seem easier to create and manipulate maps compared to powder programs...
404
Kurt Leinenweber
KURTL@...
Sep 24, 2000 7:36 pm
Hi everyone, I am using GSAS to try to extract Fobs from a pattern with an unknown structure (but known unit cell). The peaks are a bit broad, and let's face ...
405
L.M.D.Cranswick@...
Sep 24, 2000 11:32 pm
Sort of related to previous messages on Fourier Maps. I am interested in some quality control with respect to some talk notes related to solving relatively...
406
Armel Le Bail
armel@...
Sep 25, 2000 7:42 am
... The original code (ARIT program) takes care of this by calculating the average (Ka1+Ka2) "|Fobs|" at each iteration, which is injected as the new Fcalc...
407
Armel Le Bail
armel@...
Sep 25, 2000 10:00 am
... Ortep-3 for windows, Rasmol (see the new RasTop at : http://www.bernstein-plus-sons.com/software/RasTop_1.3/ able to read CIF files). I would say that some...
408
Kurt Leinenweber
KURTL@...
Sep 25, 2000 4:13 pm
Armel has some good points about Rietveld limitations. Also, a lot of the programs are standalone and I find myself having to retype information several times...
409
L.M.D.Cranswick@...
Sep 28, 2000 2:10 am
The following GRETEP (Grenoble Thermal Ellipsoids Plot Program) for Windows has been officially released and is freely available for download off the internet....
410
L.M.D.Cranswick@...
Sep 28, 2000 2:25 am
As discussed at the inaugural Crystallography Computing SIG meeting of the European Crystallographic Association - (during the August ECM 2000 conference at...
411
L.M.D.Cranswick@...
Sep 29, 2000 3:44 am
This is just a quick Email that there is a new bug fix update of the Chekcell software for Windows (Graphical Indexing Helper tool that links into Robin...
412
XIA Changtai
cxia@...
Sep 30, 2000 5:33 pm
Dear all, I wish to know how to make Rietveld Refinement of heavy preferred orientation with FullProf. Thank you very much! Xia Changtai Universidad de Chile...
413
Armel Le Bail
armel@...
Oct 1, 2000 9:46 am
... The following mini-tutorial is based on the 21/01/2000 manual describing the 20/07/2000 wfp2k Fullprof version. Actually, it is said that Fullprof can do...
414
L.M.D.Cranswick@...
Oct 1, 2000 5:30 pm
... I believe something that will be in Fullprof soon is spherical harmonics for preferred orientation and other general applications such as peak anisotropy. ...
415
Guilhem Dezanneau
gdezano@...
Oct 2, 2000 6:42 am
the first thing you have to do is to have an idea of the preferred orientation distribution (rocking curve on the (hkl) direction of preferred orientation). ...
416
Roberto Garcia
rgarcia@...
Oct 2, 2000 2:08 pm
______________________________________________ Roberto Garcia Senior Analyst, Metallography NC State University / Analytical Instrumentation Facility Campus...
417
youngdan
youngdan@...
Oct 2, 2000 6:50 pm
Andy Young youngdan@......
418
Armel Le Bail
armel@...
Oct 2, 2000 10:12 pm
Despite the still small number of published SDPDs per year (~50), seminars and workshops or symposiums are continuously raining, and none is advertised at...
419
L.M.D.Cranswick@...
Oct 3, 2000 5:47 am
... This is an interesting point - are you sure your database of structures solved from Powder diffraction is up to date and might not be missing some organic...
420
L.M.D.Cranswick@...
Oct 3, 2000 6:03 am
... [text deleted] ... Have wanted to reply to Armel's comments before but delays abound. Isn't the importance of having GUI's on "real space" structure...
