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From: Beekman, Matthew [mailto:mbeek...@cas.usf.edu]
Sent: Saturday, March 07, 2009 7:20 PM
To: Peter Y. Zavalij; rietveld_l@ill.fr
Subject: RE: cRs
Hello all,
A quick question regarding the background subtracted R values:
In the .LST file, GSAS gives two sets of values for
er to an enquiry of your present Chair
(a former referee of my thesis), and received back lots of pain.
Please, stop. I attach the conference contribution to your attention.
- Original Message -
>> From: "Eduard E. Levin"
>> To:
>> Cc:
>> Date: 2009-
ou
> should never substract background.
>
>
> Eduard.
>
> - Original Message - From: "Olga Smirnova"
>
> Cc:
> Sent: Friday, March 06, 2009 8:55 AM
> Subject: Re: cRs
>
>
>>> As a rule, before doing that I'd switch to xye format to preserve
Olga Smirnova wrote:
Did anyone try to calculate simple mean deviance and compare with
popular R factors?
OS
For "simple mean deviance" do you mean like in:
http://en.wikipedia.org/wiki/Deviance_(statistics)
Seems we normally call that "chi^2". If that's what you meant, then yes,
people do
ass sample holder, for example, or carbon black.
If I'm correct, that the answer would be simple - under this conditions you
should never substract background.
Eduard.
- Original Message -
From: "Olga Smirnova"
Cc:
Sent: Friday, March 06, 2009 8:55 AM
Subject: Re: cRs
ch 04, 2009 8:17 AM
*To:* Jon Wright; olga.smirn...@hw7.ecs.kyoto-u.ac.jp
*Cc:* rietveld_l@ill.fr
*Subject:* RE: cRs
I'll put my tuppence worth in here as there can be another
consideration with high backgrounds.
Normally I wouldn't touch the background, but there are times when a
a]
*Sent:* Wednesday, March 04, 2009 8:17 AM
*To:* Jon Wright; olga.smirn...@hw7.ecs.kyoto-u.ac.jp
*Cc:* rietveld_l@ill.fr
*Subject:* RE: cRs
I'll put my tuppence worth in here as there can be another
consideration with high backgrounds.
Normally I wouldn't touch the background, but ther
2009 8:17 AM
To: Jon Wright; olga.smirn...@hw7.ecs.kyoto-u.ac.jp
Cc: rietveld_l@ill.fr
Subject: RE: cRs
I'll put my tuppence worth in here as there can be another consideration
with high backgrounds.
Normally I wouldn't touch the background, but there are times when a high
background
erful, if slightly meaningless Rwp for the paper!
Pam
From: Jon Wright [mailto:wri...@esrf.fr]
Sent: Wed 04/03/2009 4:00 AM
To: olga.smirn...@hw7.ecs.kyoto-u.ac.jp
Cc: rietveld_l@ill.fr
Subject: Re: cRs
Dear Olga,
As you've noticed, the Rietveld R-fa
om: Maxim V. Lobanov [mailto:m_loba...@huntsman-nmg.com]
Sent: Tue 3/3/2009 11:35 PM
To: rietveld_l@ill.fr
Subject: RE: cRs
As far as I understand, the major issue is that BG subtraction changes the
error statistics (accordingly, weights applied in calculating function to
minimize...). It is also somewh
when you always have to
divide by zero background?
Let's have time. Considering a part of the profile without peaks one
gets 100% cR.
I did not give the agreement factor; I would say those cR with all
non-excluded points is incorrect, but cR for
points with Bragg contribution is almost the same!
Do you decrease the Rs by adding the background or do you increase
cRs by subtracting the background?
OS
PS I did not ask my supervisor before sending such a mail.
agreement factor; I would say those cR with all
non-excluded points is incorrect, but cR for
points with Bragg contribution is almost the same!
Do you decrease the Rs by adding the background or do you increase cRs
by subtracting the background?
OS
PS I did not ask my supervisor before sending such a mail.
Maxim V. Lobanov wrote:
> However, some Rietveld programs do not have good selection of BG functions,
> and it is sometimes problematic to correctly fit the BG - so, I think in this
> case
> careful BG removal would be the only option.
Not the only option...
You have an option to forget about th
ow...@csiro.au]
Sent: Wednesday, March 04, 2009 8:32 AM
To: olga.smirn...@hw7.ecs.kyoto-u.ac.jp
Cc: rietveld_l@ill.fr
Subject: RE: cRs
It's German... "verboten" == forbidden.
You should never delete the background from a diffraction pattern prior to
(Rietveld) analysis.
It changes
South, Victoria
AUSTRALIA 3169
Ph: +61 3 9545 8892
Fax: +61 3 9562 8919 (site)
Email: matthew.row...@csiro.au
-Original Message-
From: Olga Smirnova [mailto:olga.smirn...@hw7.ecs.kyoto-u.ac.jp]
Sent: Wednesday, 4 March 2009 16:30
To: Brian O'Connor
Cc: rietveld_l@ill.fr
Subject: Re:
a [mailto:olga.smirn...@hw7.ecs.kyoto-u.ac.jp]
Sent: Wed 4/03/2009 2:14 PM
To: rietveld_l@ill.fr
Subject: cRs
Dear All,
How is life with conventional R factors when you always have to divide
by zero background?
Let's have time. Considering a part of the profile without peaks one
gets 10
Background removal is verbotten!
Brian O'Connor
From: Olga Smirnova [mailto:olga.smirn...@hw7.ecs.kyoto-u.ac.jp]
Sent: Wed 4/03/2009 2:14 PM
To: rietveld_l@ill.fr
Subject: cRs
Dear All,
How is life with conventional R factors when you always have to divi
ut cR for
points with Bragg contribution is almost the same!
Do you decrease the Rs by adding the background or do you increase cRs
by subtracting the background?
OS
PS I did not ask my supervisor before sending such a mail.
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