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-Original Message-
From: rietveld_l-requ...@ill.fr [mailto:rietveld_l-requ...@ill.fr] On Behalf Of
A. van der Lee
Sent: Thursday, December 17, 2015 10:58 AM
To: rietveld_l@ill.fr
Subject: Re:
**
" Je ne te parlerai 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 ; Lubomir Smrcok
; Leonid Solovyo
cember 2015 11:03
To: Mike Glazer ; Lubomir Smrcok ;
Leonid Solovyov
Cc: rietveld_l@ill.fr
Subject: RE: structure solution terminology
RMC covers only a part of the "Direct space methods", not for example methods
using evolution algorithms.
Radovan Cerny
Laboratoire de Cristallographie
**
" Je ne te parlerai 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 ; Lubomir Smrcok
; Leoni
>
> Brute force is a nicer way of putting it than blind luck :-)
Does "Tour de force" work in American ?
I have had that get by US reviewers, though they otherwise correct my
English :-)
Alan.
__
* Dr Alan Hewat, NeutronOptics, Grenoble, FRANCE *
+
ursday, 17 December, 2015 7:24 AM
To: rietveld_l@ill.fr
Subject: Re: structure solution terminology
I agree with Yaroslav Filinchuk's thoughts:
"However, the "structure solution in direct space" does not attempt to work in
the reciprocal space - all the manipulations are d
/9780198744306.do
-Original Message-
From: Radovan Cerny [mailto:radovan.ce...@unige.ch]
Sent: 17 December 2015 11:03
To: Mike Glazer ; Lubomir Smrcok ;
Leonid Solovyov
Cc: rietveld_l@ill.fr
Subject: RE: structure solution terminology
RMC covers only a part of the "Direct space met
roduct/9780198744306.do
-Original Message-
From: Radovan Cerny [mailto:radovan.ce...@unige.ch]
Sent: 17 December 2015 11:03
To: Mike Glazer ; Lubomir Smrcok
; Leonid Solovyov
Cc: rietveld_l@ill.fr
Subject: RE: structure solution terminology
RMC covers only a part of the "Direc
voyé : jeudi 17 décembre 2015 11:49
À : Lubomir Smrcok; Leonid Solovyov
Cc : rietveld_l@ill.fr
Objet : RE: structure solution terminology
This all sounds like Reverse MonteCarlo (RMC) modelling. We have used this with
PDF analysis.
Mike Glazer
+
This all sounds like Reverse MonteCarlo (RMC) modelling. We have used this with
PDF analysis.
Mike Glazer
++
Please do NOT attach files to the whole list
Send commands to eg: HELP as the subject with no body text
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jeudi 17 décembre 2015 09:28
À : rietveld_l@ill.fr
Objet : Re: structure solution terminology
On 16/12/2015 23:05, Lubomir Smrcok wrote:
> shuffles atoms or molecules around
> a cell and compares experimental and calculated patterns ? It could be
> well used also for single crystal data,
***
Leonid A. Solovyov
Institute of Chemistry and Chemical Technology
660036, Akademgorodok 50/24, Krasnoyarsk, Russia
http://sites.google.com/site/solovyovleonid
***
----
On Thu, 12/17/
Russia
http://sites.google.com/site/solovyovleonid
***
On Thu, 12/17/15, Lubomir Smrcok 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
On 16/12/2015 23:05, Lubomir Smrcok wrote:
shuffles atoms or molecules around
a cell and compares experimental and calculated patterns ? It could be
well used also for single crystal data, I know, but it is not routinely
done (yet ?).
In protein crystallography one says "molecular replacement"
*
Leonid A. Solovyov
Institute of Chemistry and Chemical Technology
660036, Akademgorodok 50/24, Krasnoyarsk, Russia
http://sites.google.com/site/solovyovleonid
***
On Thu, 12/17/15, Lubomir Smrcok
e.com/site/solovyovleonid
***
On Thu, 12/17/15, Lubomir Smrcok 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 structur
mir Smrcok 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 solution from powders, which instead
of analyzing
el
To: yaroslav.filinc...@uclouvain.be; uachs...@savba.sk
Cc: rietveld_l@ill.fr
Subject: RE: structure solution terminology
Hhmmm. A method which uses a model to calculate a diffraction pattern which is compared
with observed data and the difference minimised by refining some parameters. Then
restarting the
w.chem.umd.edu/crystallography
-Original Message-
From: rietveld_l-requ...@ill.fr [mailto:rietveld_l-requ...@ill.fr] On Behalf Of
ian.mad...@csiro.au
Sent: Wednesday, December 16, 2015 6:29 PM
To: yaroslav.filinc...@uclouvain.be; uachs...@savba.sk
Cc: rietveld_l@ill.fr
Subject: RE: structure solutio
.edu/crystallography
-Original Message-
From: rietveld_l-requ...@ill.fr [mailto:rietveld_l-requ...@ill.fr] On Behalf Of
ian.mad...@csiro.au
Sent: Wednesday, December 16, 2015 6:29 PM
To: yaroslav.filinc...@uclouvain.be; uachs...@savba.sk
Cc: rietveld_l@ill.fr
Subject: RE: structure solution terminol
rietveld_l-requ...@ill.fr] on behalf of
Yaroslav Filinchuk UCL [yaroslav.filinc...@uclouvain.be]
Sent: Thursday, December 17, 2015 9:17 AM
To: Lubomir Smrcok
Cc: rietveld_l@ill.fr
Subject: Re: structure solution terminology
Hi Lubo,
if we speak of diffraction, we have a Fourier transformation, so
Hi Lubo,
if we speak of diffraction, we have a Fourier transformation, so we
are not 100% in the direct space with any structure solution method.
However, the "structure solution in direct space" does not attempt to
work in the reciprocal space - all the manipulations are done in the
direct space
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 a
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