Hi, SDPD was the subject of the first conference given at the recent "Sixth International School and Workshop of Crystallography", Ismailia, 22-27 January...
212
Armel Le Bail
armel@...
Feb 4, 2000 12:35 pm
Willing to be kept informed on seemingly important software, I constantly ask for news. However, years are passing and availability is still delayed concerning...
213
Dr. Kenneth Shankland
k.shankland@...
Feb 4, 2000 5:40 pm
Dear Armel, A short but sweet answer your query... As DASH is to marketed by CCDC, you should contact them directly to check on the latest news. I know for a...
214
Armel Le Bail
armel@...
Feb 4, 2000 6:23 pm
Thanks Kenneth, Well, it seems that emails from the SDPD mailing list are not distributed only to the subscribers... Steve Maginn subscribed 2mn after your own...
215
Lachlan Cranswick
l.m.d.cranswick@...
Feb 4, 2000 10:24 pm
... If the main(?) problem people encounter with solving from powders is reliable powder indexing - what percentage will ever get through to trying solve using...
216
Armel Le Bail
armel@...
Feb 5, 2000 10:00 am
... There is a new SDPD Round Robin equivalent running right now. It is continuously open, but with registration fees ;-) the SDPD Internet Course at : ...
217
K.Shankland@...
Feb 6, 2000 3:22 pm
Lachlan said ... I agree with Armel - who says that indexing is the big problem ? Lets keep things in perspective ! Structure solution is far from a "done...
218
Robin Shirley
R.Shirley@...
Feb 7, 2000 1:23 pm
What Armel actually said was that indexing is not *the* main problem but remains *one of* the main problems. I'd go along with that. Similarly I agree with...
219
MartinUlrich_Schmidt@...
Feb 7, 2000 3:54 pm
I agree with the comments of Ken, Armel, and Robin on indexing. Let me make just a small comment about indexing as beeing the first step in structure...
220
Steve Maginn
maginn@...
Feb 7, 2000 4:43 pm
Hi folks, This is my first post to this board, but I hope to become a regular contributor. CCDC will indeed be distributing DASH. We have an agreement with...
221
Peter Y. Zavalij
zavalij@...
Feb 7, 2000 4:49 pm
I don't agree with M.Schmidt's comments simply because "guessing, intuition or comparison with an isotypic known structure" and "energy minimization" are not ...
222
Guilhem Dezanneau
gdezano@...
Feb 15, 2000 1:21 pm
Hi, I have a problem to solve the determination of flat plate nanocrystallite dimensions. Indeed, conversely to classical cases, my crystallites consist of...
223
Armel Le Bail
armel@...
Feb 15, 2000 3:47 pm
If I understand well your 30*200*200nm (as seen by electron microscopy ?) nanocrystallites powder diffraction data are well fitted (Rietveld ?) by an isotropic...
224
Guilhem Dezanneau
gdezano@...
Feb 16, 2000 9:47 am
Indeed, crystallites have been observed by TEM. my compound, synthesised by spray pyrolisis consists of spheric (Phi=0.4µm) shells with a thickness around...
225
Daniel Chateigner
daniel.chateigner@...
Feb 16, 2000 11:25 am
are you integrating the all rings to get rid of possible orientations ? If so, did you operate all the necessary corrections of the images like concentricity,...
226
Guilhem Dezanneau
gdezano@...
Feb 16, 2000 12:03 pm
We have treated the diffraction image obtained with FIT2D and have taken into account all the parameters you mention... it is to note that the width W=0.0049...
227
Armel Le Bail
armel@...
Feb 16, 2000 12:55 pm
... Sometimes the size of the coherently diffracting domains seen by X-ray or neutron may not match the size observed by electron microscopy. However, it can...
228
Robin Shirley
R.Shirley@...
Feb 16, 2000 8:27 pm
I'm posting the following abstract, which has been submitted for the BCA 2000 Conference in Edinburgh this April, in case it may be of interest to list ...
229
Armel Le Bail
armel@...
Feb 23, 2000 7:44 am
Recent update of the SDPD-Database shows that 1999 will be an average productive year. Looking at the number of SDPDs listed shows that we are at a plateau of...
230
Dr. Holger Putz
holger.putz@...
Feb 23, 2000 8:11 am
... I think that it's too soon to expect the large methodological improvements concerning structure solution from powder to show in the publication statistics...
231
Armel Le Bail
armel@...
Feb 23, 2000 9:14 am
... By user friendly, you mean with a Graphical User Interface. Do you really think that GUIs have so much influence on the success or not in a SDPD ? It is...
232
K.Shankland@...
Feb 23, 2000 9:21 am
A quick opinion... It's not the GUI as such that makes the difference. It's making the program easy to use (generally implying a GUI nowadays) and making it...
233
Dr. Holger Putz
holger.putz@...
Feb 23, 2000 10:10 am
I agree with Kenneth concerning the "download culture" (and I have to admit that I'm not much better concerning this subject...) However, from my personal...
234
Lubomir Smrcok
uachsmrk@...
Feb 23, 2000 10:15 am
... Last words are a practical joke if you consider prices ... Lubo...
235
Armel Le Bail
armel@...
Feb 23, 2000 10:53 am
... And let me add that the "download culture" will soon be killed by commercial programs, definitely. I defend that culture which is finally that of "Open...
236
K.Shankland@...
Feb 23, 2000 11:37 am
Armel, No one is saying that a good GUI (or for that matter, a good command line driven interface) overcomes the limitations of a poor underlying program or...
237
Armel Le Bail
armel@...
Feb 23, 2000 1:16 pm
... There are 2 kinds of poor data : - poor raw data, only experts can cope with them ; - poor data due to inadequate data treatment (even if the raw data is...
238
Barwood, Henry L
hbarwood@...
Feb 23, 2000 2:13 pm
Dr. Holger Putz [mailto:holger.putz@...] wrote: This is exactly the point where I see the advantage of commercial programs...they allow a lot more people...
239
Lachlan Cranswick
l.m.d.cranswick@...
Feb 23, 2000 10:49 pm
With respect to the following data, has any attempt been made to compare the following with year by year - numbers of a) protein and b) small molecule...
240
L. Cranswick
L.M.D.Cranswick@...
Feb 24, 2000 3:31 am
Apologies if this is considered out of place, but as textured/preferred oriented samples can be considered of benefit for some types of structure solution, the...
