[Ifeffit] How to change the data file in Dartemis?

[Isabelle Kieffer]

No problem... I was just not sure of what I was observing and feared I 
was doing wrong from the begining.

The solution of Robert is working and if I am using correctly the 
"Replace this chi(k)" in the normal cases (which means that it does not 
take into account the previous dataset when it starts fitting the 
second), I will continue using it. For different chi's coming from the 
same data, I will use the so called "brute force" method for the moment.

Thank you to both of you.

Isabelle


On 08/07/2016 14:54, Bruce Ravel wrote:
>
> Robert:  Thanks for weighing in.
>
> Isabelle: I apologize if it seems like I am ignoring you.  I was on 
> travel for the majority of June and am very busy with things not 
> related to software right now.  I simply haven't had time to look into 
> your problem.  I'll get to it eventually.
>
> B
>
>
> On 07/07/2016 07:59 PM, Robert Gordon wrote:
>> Hi Isabelle,
>>
>> If I understand your emails correctly, you are trying to fit two
>> variations of a dataset (with different normalisations)
>> to a given model FEFF calculation, yes? You have two different chi(k)'s.
>> Rather than trying to replace.
>> have you tried:
>>
>> Just fitting them one at a time in Artemis? i.e.  Import the first
>> chi(k), set the FT parameters etc. Generate
>> the FEFF model. Pick paths.  Set the GDS values. Save the project file.
>> Run fit. Discard first data, import second
>> set the FT parameters, select paths, enter the GDS values in the data
>> window...(save again, perhaps as different
>> fpj) and fit again?  (OK...this is replace, but by brute force)
>>
>> How about fitting both at the same time using the same FEFF model:
>> Import both chi(k)'s and run two
>> independent fits (i.e. amp1 for 1st, amp2 for 2nd etc) with the same
>> FEFF calculation?
>>
>> I have tested both of these routes and they do work (though there is an
>> issue with the Artemis [Plot] window
>> dropping one of the datasets if it isn't being fit).
>>
>> regards,
>> -R.
>>
>> On 7/7/2016 7:04 AM, Isabelle Kieffer wrote:
>>> Dear Bruce, dear all,
>>>
>>> Just to add some input and precise my question.
>>>
>>> The problem I encounter with "replace this chi(k)" did not appear to
>>> me until I tried to fit a spectrum twice with two different
>>> normalisations. In this case, after a fit on the first spectrum, I
>>> "replace this chi" with another that is normalised differently, and
>>> when I try to fit, it stops with the following error message:
>>>
>>>      This data came from the the same source as another
>>>      data group. You seem to be trying to increase your
>>>      number of independent points by fitting the same data
>>>      more than once in a multiple data set fit.
>>>
>>>
>>> Seeing that, I wondered whether "replace this chi" was doing what I
>>> thought. The upgrade did not change anything. I just tried with a
>>> colleague working under windows and the result is also the same.
>>>
>>> Shall I do differently to fit those two really similar spectra?
>>>
>>> Thank you for your help,
>>>
>>> Isabelle
>>>
>>>
>>>
>>>
>>> On 01/07/2016 21:08, Bruce Ravel wrote:
>>>> On 07/01/2016 01:57 PM, Isabelle Kieffer wrote:
>>>>> You mean that when you "Replace this chi(k)", it asks what to do, 
>>>>> or it
>>>>> supposes that you want to fit new data with the same model?
>>>>
>>>> What I mean is: upgrade.  Many of the problems you are reporting have
>>>> been fixed already.  If you upgrade and still see these problems,
>>>> make a bug report and I will look into it.
>>>>
>>>> B
>>>>
>>>>
>>>
>>
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>

-- 
Isabelle KIEFFER, Ingénieur de Recherche CNRS, Ligne CRG FAME (BM30B)
ESRF - The European Synchrotron
CS 40220 - 38043 Grenoble Cedex 9 - France
Tel : +33 (0)4 76 88 25 47 - Bureau : LOB 2-50