[Ifeffit] Ifeffit Digest, Vol 129, Issue 9

[KONG Qingyu]

Hello Jason,

Thank you. 

Could one obtain x% directly from Artemis? We have tried to use a separate program to do linear combination fitting using feff calculated paths, but not the same quality of fitting from Artemis. 

Best regards, 
Qingyu Kong

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Today's Topics:

   1. linear combination fitting (KONG Qingyu)
   2. Re: linear combination fitting (Jason Gaudet)


----------------------------------------------------------------------

Message: 1
Date: Wed, 6 Nov 2013 19:57:07 +0000
From: KONG Qingyu <qingyu.kong at synchrotron-soleil.fr>
To: "ifeffit at millenia.cars.aps.anl.gov"
	<ifeffit at millenia.cars.aps.anl.gov>
Subject: [Ifeffit] linear combination fitting
Message-ID:
	<30F62EE734A9EA45A3F211513CB62003B134D787 at SUN-DAG1.synchrotron-soleil.fr>
	
Content-Type: text/plain; charset="iso-8859-1"

Hello, 

We measured EXAFS of a mixed sample of Li2MoO3 and MO3, with Artemis we fitted the data with two FEFF calculations using the crystal structures of Li2MoO3 and MO3, the fitting results are quite good. We would like to know the weight of Li2MoO3 and MO3 in the sample, how can we get this value from Artemis? 

Thanks a lot in advance.  


Qingyu Kong

Beamline ODE
Soci?t? civile Synchrotron SOLEIL
L'Orme des Merisiers
Saint-Aubin - BP 48
91192 GIF-sur-YVETTE CEDEX
Tel: +33 (0)1 69 35 97 84 (office)
      +33 (0)1 69 35 97 16 (beamline)
email: kong at synchrotron-soleil.fr



------------------------------

Message: 2
Date: Wed, 6 Nov 2013 18:03:53 -0500
From: Jason Gaudet <jason.r.gaudet at gmail.com>
To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
Subject: Re: [Ifeffit] linear combination fitting
Message-ID:
	<CANMcWtP0z6vALK5XMWtXp1TawruMo3NeMxNeZNoA1kvZpjT3wA at mail.gmail.com>
Content-Type: text/plain; charset="iso-8859-1"

Hi Qingyu,

Each Mo absorber contributes to the spectrum equally, so if you think you have a good analysis that indicates x% of Mo scatterers are most similar to
Li2MoO3 and 100-x% are most similar to MoO3, those are simply atomic percentages.  All you have to do is convert the atomic% to mass% using the formula weight of your components.

-Jason


On Wed, Nov 6, 2013 at 2:57 PM, KONG Qingyu < qingyu.kong at synchrotron-soleil.fr> wrote:

> Hello,
>
> We measured EXAFS of a mixed sample of Li2MoO3 and MO3, with Artemis 
> we fitted the data with two FEFF calculations using the crystal 
> structures of
> Li2MoO3 and MO3, the fitting results are quite good. We would like to 
> know the weight of Li2MoO3 and MO3 in the sample, how can we get this 
> value from Artemis?
>
> Thanks a lot in advance.
>
>
> Qingyu Kong
>
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