RE: As sent to the neutron mailing list

1999-09-27 Thread Jon Wright
> ... not at all for magnetism, ... Ahem, magnetism - resolution is very useful, in certain (rare) cases. I guess that magnetic structures are not Armel's primary interest but in at least one case resolution was essential. (FeAsO4 from IRIS (TOF neutron) dataset, J.Phys:Condens.Matter 11 (1999) 1

RE: As sent to the neutron mailing list

1999-09-25 Thread Armel Le Bail
>And the question is really : if I do not succeed at home, can I really >succeed on a big instrument ? I think yes if those numbers mean >really something. Hence the need to define what they mean. And the last numbers are, in 'equivalent conventional X-ray at 1.54A units' of FWHM, which really me

RE: As sent to the neutron mailing list

1999-09-25 Thread Armel Le Bail
Lubo wrote: >why do you like playing with numbers so much ? Well, I can tell you some >more : >suppose you can subdivide your (our) interval (0-180 degs 2theta) into >small parts, say 0.01 degs. In other words, you may have 18 channels >at maximum. If there is an "useful" intensity in a chann

RE: As sent to the neutron mailing list

1999-09-25 Thread Lubomir Smrcok
Armel, why do you like playing with numbers so much ? Well, I can tell you some more : suppose you can subdivide your (our) interval (0-180 degs 2theta) into small parts, say 0.01 degs. In other words, you may have 18 channels at maximum. If there is an "useful" intensity in a channel (not onl

RE: As sent to the neutron mailing list

1999-09-25 Thread Armel Le Bail
>I converted the data to 2th, using a popular synchrotron >wavelength (0.7 A) for everybody's convenience. You can see by yourself >that the 200 peak has about 0.013 degrees FWHM. Clearly, the FWHM depends >on the wavelength you choose, so I guess I could have gotten to 0.006 using >a shorter wa

RE: As sent to the neutron mailing list

1999-09-24 Thread Bob Von Dreele
Having read all these messages about the merits and advantages of neutron TOF and synchrotron X-ray powder diffractometers for structure determination & refinement, I'm a little reminded of the Mac vs PC arguments that sometimes rage around. Each of these machines have particular applications that

RE: As sent to the neutron mailing list

1999-09-24 Thread P . G . Radaelli
Oops. I meant http://www.ill.fr/dif/hrpd-mgo.txt Paolo

RE: As sent to the neutron mailing list

1999-09-24 Thread W . I . F . David
Dear Frank, I've just received an e-mail from the Rietveld mailing list courtesy of Paolo Radaelli that has an HRPD diffraction pattern of MgO - it's big but hopefully you will be able to plot the file. This should help you get a feel for the data and the nature of the binning. Now concerning th

RE: As sent to the neutron mailing list

1999-09-24 Thread P . G . Radaelli
Dear All, so that we don't have to wait until Bill comes back... I sent a portion of an MgO pattern taken with HRPD to Alan, and he kindly put it on his www server: http://www.ill.fr/dif/hrpd-mgo.doc. It's a simple text file. I converted the data to 2th, using a popular synchrotron wavelength

Re: As sent to the neutron mailing list

1999-09-24 Thread Frank L May
As a user of conventional laboratory powder XRD equipment, I too would like to "touch with my fingers such a wonderful powder pattern" (nice, Armel). I accept visually as a peak one which has five (5) adjacent points observed above background. With a peak having breadth of 0.006 degree, the effe

RE: As sent to the neutron mailing list

1999-09-24 Thread Alan Hewat
I know that Armel likes to be a little provocative sometimes (who doesn't :-) but there are many people on the neutron mailing list who are only too happy to be convinced that X-rays can do it all. Then they can use the money instead to build the latest version of their fancy spectrometer for mea

RE: As sent to the neutron mailing list

1999-09-24 Thread Armel Le Bail
At 11:33 24/09/99 +0100, Kenneth wrote: >As ever, none of Armel's replies actually acknowledge >the validity of their resolution arguments So, I want to acknowledge Brian Toby who pointed that the best minimal FWHM for a neutron powder diffractometer at constant wavelength was 0.12° (2-theta

RE: As sent to the neutron mailing list

1999-09-24 Thread K . Shankland
Dear All, Erich Kisi got it right for saying that the discussion should be on a scientific basis. My original posting did not bring up the subject of structure solution / refinement. I simply pointed out that Armel's posting to the neutron list, deprecating the resolution of neutron instrumen

RE: As sent to the neutron mailing list

1999-09-23 Thread Armel Le Bail
At 09:18 24/09/99 +1000, Dr Erich Kisi wrote: >My thanks to Bill David when he wrote: > >>I guess that I should try to clarify a couple of points about structure >>determination from neutron powder diffraction and about the resolution of >>neutron powder diffractometers. >>etc, etc,etc > >for put

RE: As sent to the neutron mailing list

1999-09-23 Thread Dr Erich Kisi
My thanks to Bill David when he wrote: >I guess that I should try to clarify a couple of points about structure >determination from neutron powder diffraction and about the resolution of >neutron powder diffractometers. >etc, etc,etc for putting the resolution/structure solution discussion on a

RE: As sent to the neutron mailing list

1999-09-23 Thread W . I . F . David
I guess that I should try to clarify a couple of points about structure determination from neutron powder diffraction and about the resolution of neutron powder diffractometers. (i) Structure determination from neutron powder diffraction Armel is quite right when he says that you see all the ato

Re: As sent to the neutron mailing list

1999-09-23 Thread Armel Le Bail
It is not usual to reply to a mail on another mailing list than the original. Fortunately I am a subscriber of both the Rietveld and neutron mailing lists. Anyway, no, it is not a joke. On about 400 structure determinations from powder diffraction data, less than 5% were done from neutron data,