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[PyMca] Intensities from theoretical sample

[PyMca g. p. m. list. <pym...@li...>]

Hi,
I am trying to generate intensities from some simple theoretical samples with a characteristic energy as the source.
Is there a way to do this with e.g. PyMcaBatch?


/Per

Per Baecklund
Pumpvägen 3
757 56 Uppsala
Sweden

Re: [PyMca] Intensities from theoretical sample

[PyMca g. p. m. list. <pym...@li...>]

Dear Per,


The simplest way to achieve that is to take a look at the Step 7 in:

http://www.silx.org/doc/PyMca/dev/training/quantification/index.html


You can feed PyMca with some starting data and then fill the conditions 
of the setup you want to evaluate.


You can use any of the files supplied with PyMca. For instance the file 
Steel.spe located under:


C:\Program Files\PyMca 5.9.4\lib\PyMca5\PyMcaData


You can also install the Monte Carlo code XMIMSIM and use the PyMca 
generated fit configuration file to properly account for the scattering 
peaks:


https://github.com/tschoonj/xmimsim/releases/tag/XMI-MSIM-6.0


If everything is properly installed, XMI-MSIM should be accessible from 
PyMca Main window Tools menu.


The example below corresponds to its usage with the Steel.cfg fit 
configuration file also supplied with PyMca.



Of course you can use the Monte Carlo code without using PyMca at all. 
In that case you will have to learn how to define a setup using XMI-MSIM 
and not PyMca.


Best regards,


Armando


On 27/08/2025 12:38, PyMca general purpose mailing list. wrote:
> Hi,
> I am trying to generate intensities from some simple theoretical 
> samples with a characteristic energy as the source.
> Is there a way to do this with e.g. PyMcaBatch?
>
>
> /Per
>
> Per Baecklund
> Pumpvägen 3
> 757 56 Uppsala
> Sweden
>
>
>
> _______________________________________________
> PyMca-users mailing list
> PyM...@li...
> https://lists.sourceforge.net/lists/listinfo/pymca-users

Re: [PyMca] Intensities from theoretical sample

[PyMca g. p. m. list. <pym...@li...>]

Dear Armando,

Thank you for the answer.
I assume I need to do the calibration, but for that to work I need to know what the background is in order to identify the peaks.




/Per

Per Baecklund
Pumpvägen 3
757 56 Uppsala
Sweden

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Ämne: Re: [PyMca] Intensities from theoretical sample


Dear Per,


The simplest way to achieve that is to take a look at the Step 7 in:



http://www.silx.org/doc/PyMca/dev/training/quantification/index.html


You can feed PyMca with some starting data and then fill the conditions of the setup you want to evaluate.


You can use any of the files supplied with PyMca. For instance the file Steel.spe located under:


C:\Program Files\PyMca 5.9.4\lib\PyMca5\PyMcaData


You can also install the Monte Carlo code XMIMSIM and use the PyMca generated fit configuration file to properly account for the scattering peaks:


https://github.com/tschoonj/xmimsim/releases/tag/XMI-MSIM-6.0


If everything is properly installed, XMI-MSIM should be accessible from PyMca Main window Tools menu.


The example below corresponds to its usage with the Steel.cfg fit configuration file also supplied with PyMca.


[cid:par...@es...]


Of course you can use the Monte Carlo code without using PyMca at all. In that case you will have to learn how to define a setup using XMI-MSIM and not PyMca.


Best regards,


Armando


On 27/08/2025 12:38, PyMca general purpose mailing list. wrote:
Hi,
I am trying to generate intensities from some simple theoretical samples with a characteristic energy as the source.
Is there a way to do this with e.g. PyMcaBatch?


/Per

Per Baecklund
Pumpvägen 3
757 56 Uppsala
Sweden





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Re: [PyMca] Intensities from theoretical sample

[PyMca g. p. m. list. <pym...@li...>]

Dear Per,


Not really. If you take the Steel example with its configuration you do 
not have to do anything in particular to simulate a spectrum.


The generated spectrum will use the background of the steel sample, but 
if you use the Monte Carlo code, it will also simulate a background.


Just change the sample composition to match what you want to simulate.


If what you want is to work with an actual spectrum you have measured, 
then yes, you will have to calibrate it in energy (and analyze it in the 
normal way but the tutorials are good enough to achieve that goal).


Best regards,


Armando


On 09/09/2025 09:58, PyMca general purpose mailing list. wrote:
> Dear Armando,
>
> Thank you for the answer.
> I assume I need to do the calibration, but for that to work I need to 
> know what the background is in order to identify the peaks.
>