OK,
why not to go to Oxford dictionary and consider Greek origin od the word ?
If doing so one finds :
1.1Beyond or distinct from, but analogous to:
and there's, IMHO, the point.
Best,
Lubo
++
Please do NOT attach files to the whole
May I ask our Russian colleagues if anybody could provide me with a copy
of a little bit older paper by Pinsker :
Kristallografiya 1966 11 741 748
There's no need for English version, thanks.
Best regards,
Lubo
++
Please do NOT
leonid
***
On Thu, 12/17/15, Lubomir Smrcok <uachs...@savba.sk> wrote:
Subject: structure solution terminology
To: rietveld_l@ill.fr
Date: Thursday, December 17, 2015, 5:05 AM
Hi,
I feel I have a problem with terminology. What
2015 11:03
To: Mike Glazer <mike.gla...@physics.ox.ac.uk>; Lubomir Smrcok <uachs...@savba.sk>;
Leonid Solovyov <l_solov...@yahoo.com>
Cc: rietveld_l@ill.fr
Subject: RE: structure solution terminology
RMC covers only a part of the "Direct space methods", not for examp
erai que cristaux" L. Pasteur (1850)
http://ukcatalogue.oup.com/product/9780198744306.do
-Original Message-
From: Radovan Cerny [mailto:radovan.ce...@unige.ch]
Sent: 17 December 2015 11:03
To: Mike Glazer <mike.gla...@physics.ox.ac.uk>; Lubomir Smrcok
<uachs...@savb
Hi,
I feel I have a problem with terminology. What's the right nickname for
the method of structure solution from powders, which instead of analyzing
electron (nuclear) density shuffles atoms or molecules around a cell and
compares experimental and calculated patterns ? It could be well used
***
On Thu, 12/17/15, Lubomir Smrcok <uachs...@savba.sk> wrote:
Subject: structure solution terminology
To: rietveld_l@ill.fr
Date: Thursday, December 17, 2015, 5:05 AM
Hi,
I feel I have a problem with terminology. What's the right
nickname for
the method of structure so
Hi,
Could anybody donate a PDF/PS version of the original manual of Ortep ?
The page Uncle Google leads to,
http://web.ornl.gov/sci/ortep/man_pdf.html, seems to give links to
the non-existing ftp server.
Thanks.
Best wishes,
Lubo
Hello everybody,
May I ask mineralogist geologists reading this mails (especially
European) if anybody could help us in obtaining of an amount of
well-ordered
mineral, montmorillonite, nick-named Mikhlailov from Bulgaria ? My
apologies for posting it here, by all my
attempts to make a
Well,
I do not work with metals and therefore my question could be somehow
naive.
Suppose you have such funny peaks and you are sure it is not due to
experimental conditions. How unique is than the interpretation offered by
Leonid ? Nothing presonal, of course :-)
lubo
On Mon, 15 Jun
, the
problem is the impression we produce in others with our self-definitions.
still the more channels people have to reach information , the best, and as
someone says before, if it does not work it will fade out with no damage.
Quoting Lubomir Smrcok uachs...@savba.sk:
Dear Luis,
I always find
8520 [ B113 / Bldg 217 ]
Gaithersburg, MD 20899-8523 USA
jcl...@nist.gov
(301) 975 5793
FAX (301) 975 5334
-Original Message-
From: Lubomir Smrcok [mailto:uachs...@savba.sk]
Sent: Thursday, June 11, 2015 1:30 PM
To: Cline, James Dr.
Cc: rietveld_l@ill.fr
Subject: RE: Powder Diffraction
information , the best, and as
someone says before, if it does not work it will fade out with no damage.
Quoting Lubomir Smrcok uachs...@savba.sk:
Dear Luis,
I always find weird and sort of funny when someone cannot accept that
some people could call themselves troglodites meaning
. stop 8520 [ B113 / Bldg 217 ]
Gaithersburg, MD 20899-8523 USA
jcl...@nist.gov
(301) 975 5793
FAX (301) 975 5334
-Original Message-
From: Lubomir Smrcok [mailto:uachs...@savba.sk]
Sent: Thursday, June 11
Hi,
Platon provides a reliable estimate of volumes of voids. However, it does
not, in fact it can't, tell you more about their shapes. But what is known
are approximate volumes taken in structures by typical molecules, mostly
by solvents. Of course, some flexible molecules could happen to be a
a POP-group in FB can teach more about crystallography to a larger
group of scientist!
this is my opinion.
Davide
-Original Message-
From: rietveld_l-requ...@ill.fr [mailto:rietveld_l-requ...@ill.fr] On
Behalf
Of Lubomir Smrcok
Sent: 08 June, 2015 2:49 PM
To: Alan Hewat
Cc: rietveld_l
Dear Alan,
There are plenty of people who call usage of so-called social networks
(they are, in fact, very asocial) a progress. I would suggest to
consider De gustibus non est disputandum, but also Duo cum faciunt idem,
non est idem.
Although I am not member of any of those asocial nets and
Hi Rievelders,
Although I have gone in the past years a long away from
daily rietvelding, from
time to time I can't resist my temptation to comment on some posts (OK,
if the cap fits ... :-) and some of the comments could be well called
snarky.
But if you read that someone i) in facts asks
Thanks to all who sent me copies, I really appreciate your help !
Yours,
Lubo
-- Forwarded message --
Date: Tue, 24 Mar 2015 12:39:17 +0100 (CET)
From: Lubomir Smrcok uachs...@savba.sk
To: rietveld_l@ill.fr
Subject: looking for a copy
Hi,
May I ask someone of our Russian
Hi,
May I ask someone of our Russian colleagues to provide me with an
electronic
copy of the paper by Arakcheeva et al., which has appeared in
Kristallografiya 2004 49 75 91 ?
The title of the paper (in English) is Structure type of hexagonal
tantalum bronzes with variablecomposition K6
Hi,
Sorry for writing in the night, but does anybody know someone, who could
provide a qualified support for Wiplotr-2006 ? My Mac version is of June
2012. I would be really happy to have a manual just for that version, as
the common version of Winplotr ( Windoze one) does not work on Mac
well,
do you know why are you refining just that parameter ?
lubo
On Wed, 14 Jan 2015, Josh Kim wrote:
Dear Rietvelds,
I am new to FullProf, and am familiar with the difficulty in preparing a decent
.pcr file, but have run into a problem to which I cannot pinpoint the error:
During the
This is the best description of quantitative phase analysis by X-rays I
have ever read ...
Very true is especially this part :
... is attributed to data where an estimationof errors is missing, that
have been never cross-checked by an
independent method, and so they are suspected to be
Hi,
I really enjoy your arguing ... The cell got by Topas is correct and the
other programs fail to support this idea. Try ITO ... if you have at least
20 peaks.
Back to real life where gems do not rule. To check a cell I can
only recommend a standalone program nicknamed LePage, which is
Hello everybody,
the fact than many papers presenting results where refinements are flooded
by tsunami of restraints appear, is main responsibility of referees and
editors. For instance, CIF dictionary clearly defines restraints items,
but they do not appear in many published CIF's. Good
Ignore it and mind the refined structural data ...
Lubo
On Tue, 23 Mar 2010, Christina Drathen wrote:
Dear all,
I am working on a refinement of synchrotron-X-ray powder data; the fit
is ok (though certainly not perfect) but I ended up with a confusingly
small reduced chi^2:
Rp = 23.4%
wRp
Spectrum:
from Latin spectrum appearance, specter, from specere to look, look at
Lubo
On Thu, 11 Feb 2010, amar...@chimica.unige.it wrote:
Dear all,
I see that in scientific literature (also in high-impact factor scientific
journals) the diffraction patterns are often referred to as
Jacco,
could you kindly tell us the composition of the sample and the technique
used to collect the data ?
Lubo
On Wed, 10 Feb 2010, Jacco van de Streek wrote:
Dear colleagues,
I am helping some people from the University of Frankfurt with their
Rietveld refinements, and usually their
Pardon me,
this is definitely not a question touching rietveld, but I am a little
bit lost. I do need full reference to the paper published in
CRyst. Struct. Commun. (1973) I did my best to google out a link to it,
but with
no success. Could anybody give me link to this journal ?
Many thanks,
Just one question : have you asked your supervisor before sending such a
mail ? Though I understand your position it seems that you are not very
familiar with the background of the method ...
lubo
On Thu, 26 Feb 2009, veron wrote:
Hello. I am a PhD student and need your help.
I am
Try Platon by Ton Spek.
Lubo
On Wed, 5 Nov 2008 [EMAIL PROTECTED] wrote:
Dear all,
Recently, I have refined the structure using powder data. In each asymmetric
unit of Pmc21, there are two chemically similar but crystallographically
different complexes. The center of these two complexes is
Hi,
S is, strictly speaking a valid criterion only under special conditions
which are not fulfilled in Rietveld. My advice is to forget about the
value of S and think of physics, i.e. bond distances, angles, occupancies
and in favorite cases, also of displacement parameters.
Lubo
On Tue, 3
Hi,
I really wonder why do you bother about 1% difference when the error of
the method (XRD, quantitative phase analysis) could reach 10%
(absolute) ...
People in the discussions appearing here seem to forget about two things:
i) quantitative phase analysis done by rietveld method is always
On Sun, 9 Mar 2008, Alan Hewat wrote:
Precision of CW neutron machines is
frequently not so high as X-ray diffractometers, but this problem is
masked in Rietveld by extremely (artficialy) low e.s.d.'s of lattice
parameters.
Hmm?? With CW neutron machines, the wavelength is sometimes not
Hello,
do not mind statistical precision (your error at the oxygen coordinate)
and look at the errors (e.s.d.) of the interatomic distances, especially
of those between bonded atoms. Precision of CW neutron machines is
frequently not so high as X-ray diffractometers, but this problem is
Gentlemen,
I really do not want to interfere too much, but you should (probably)
start with the definition of noise and signal. In the theory of
signals both terms have their well-defined meaning. So you can either
accept the definition used by the signal community and identify what is
what
IMHO,
plenty of counter problems have their roots in the past. When
the first GM counters were used in powder diffractometry the apparatus
(both
electronics math) was taken directly from the field of \alpha-particles
physics.
Because \alpha-particles are rather rare (events), people used
Hello,
I was asked by my colleague if there is a way how to find (I'd prefer
estimate)
the amount of the crystalline phase in the glass matrix. Both phases have the
same (or very close) chemical composition.
If necessary, they can also prepare the sample totaly crystalline without any
glass.
Hello,
try Acta Cryst C62 i83-84 (2006) and the references cited therein.
Best,
Lubo
On Thu, 6 Sep 2007, Laurent Favaro wrote:
Dear Rietvelders,
I am searching for the structure of various transition aluminas
(especially rho, eta, khi, gamma, delta and sigma)
to perform ab-initio
Gentlemen,
I've been listening for a week or so and I am really wondering what do you
want to get ... Actually you are setting up a refinement, whose results
will be, at least, inaccurate. I am always surprised by attempts to refine
crystal structure of a disordered sheet silicate from powders,
Or, to see how bad the results from Rietveld refinements of kaolintes are
try review
paper in
Zeitschrift fuer Kristallographie 210(3) 177-183, 1997
lubo smrcok
On Wed, 14 Mar 2007, Alan Hewat wrote:
Reinhard Kleeberg said:
There are not so much trials published to find a
working solution
Well,
if the only error in such a refinement were V0 instead of V4+ ...
Forget it and go on with neutral species. BTW, I wonder if a single
crystal refinement could distinguish between V4+ and V0 except for a highly
ionic compound ...
Lubo
On Thu, 28 Sep 2006, Daniel Toebbens wrote:
Stanislav
Sent on behalf of my ex-PhD student who has not access to groups :
==
My name is Ondrej Pritula and I have recently finished my
PhD studies at the Institute of
Inorganic Chemistry, Slovak Academy of Sciences, Bratislava.
I am looking for a postdoc
Brian,
there is no reason to call your work "a thankless task". We all (I mean
powder diffractionist) owe you a lot for your effort to make our life
easier. It would be nice if you make public the subroutines you have
mentioned in your mail. THough I agree with you that for many of us it is
On Tue, 25 May 1999, Alan Hewat, ILL Grenoble wrote:
Mainly because the ESD's are only correctly calculated if the model
is CAPABLE of fitting the data. This is not usually true when systematic
errors are important compared to statistical errors, since the model is
usually not capable of
On Mon, 10 May 1999, Armel Le Bail wrote:
published combined X-ray and neutron refinements. Am I so far
from the truth if I estimate the number of published works combining
X-ray and neutron in a single refinement to, say less than 20 cases ? I
would like to see, in the 10 next years, this
Hello,
does anybody know where is a source code of the subroutine called SYMOP
(SYMMOP) by H.Burzlaff ? It was designed to interpret a space group symbol
and provide a set of rotational matrices and/or trans. parts.
Best,
Lubo Smrcok
P.F.'99
That's great to assume everybody uses the same software as you do,
Armel ...
I think also CIF was developed to avoid thousands of formats. Why not to
standardize e-mail exchange first and only THEN proceed with powder data
:_)
Lubo
On Fri, 5 Nov 1999, Armel Le Bail wrote:
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