From users at lists.sasview.org  Mon Jan  8 06:57:03 2024
From: users at lists.sasview.org (Constantina Sofroniou via users)
Date: Mon, 8 Jan 2024 11:57:03 +0000
Subject: [SasView Users] Inquiry Regarding Model Fitting
Message-ID: <PAWPR04MB9957910ED159A505C6685C27AD6B2@PAWPR04MB9957.eurprd04.prod.outlook.com>

Dear SasView team,

I hope this email finds you well. My name is Constantina, and I am a post-doc at the Department of Materials, Loughborough University.

I have a specific inquiry and am uncertain about the appropriate contact person. We are currently researching liposome-gold nanoparticle interactions and have acquired recent SANS data that poses challenges when fitting it with existing models. Our hypothesis is that gold nanoparticles penetrate the liposome phospholipid bilayer. After reviewing available models, we believe that the raspberry model, with a modification to incorporate a core in the large particle, would be the most suitable for our data (https://www.sasview.org/docs/user/models/raspberry.html).

Could you please direct me to the right person or provide assistance in connecting with someone who can help us modify the model as described?

Thank you in advance for your time and support.

Best regards,
Constantina

--
Constantina Sofroniou, PhD (she/her)

Postdoctoral Research Associate
Department of Materials
Loughborough University
LE11 3TU Loughborough
Leicesterhire
United Kingdom

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From users at lists.sasview.org  Tue Jan  9 12:06:34 2024
From: users at lists.sasview.org (Stephen King - STFC UKRI via users)
Date: Tue, 9 Jan 2024 17:06:34 +0000
Subject: [SasView Users] Inquiry Regarding Model Fitting
In-Reply-To: <PAWPR04MB9957910ED159A505C6685C27AD6B2@PAWPR04MB9957.eurprd04.prod.outlook.com>
References: <PAWPR04MB9957910ED159A505C6685C27AD6B2@PAWPR04MB9957.eurprd04.prod.outlook.com>
Message-ID: <LO2P265MB503995D66F792E805962EEAAB06A2@LO2P265MB5039.GBRP265.PROD.OUTLOOK.COM>

Dear Constantina,

Thank you for your email.

By emailing the SasView Users list you are reaching out to all those Users signed up to that list, as well as members of the SasView development team. So you may get multiple replies.

You can modify the raspberry model yourself.

You will find the files in C:\SasView-5.0.6\sasmodels\models (or the equivalent path for where you have installed SasView). There are two files:

                raspberry.py
                raspberry.c

Copy these to your plugin models folder (eg: C:\Users\<yourusername>\.sasview\plugin_models, and rename them; maybe core_shell_raspberry?

Edit core_shell_raspberry.py and change these two lines to reflect the name changes:

                name = "raspberry"                                                         #the name of the model must match the name of the file
                source = ["lib/sas_3j1x_x.c", "raspberry.c"]

At this point, if you save the files and start SasView you should be able to load a model called core_shell_raspberry from the Plugin category and use it (although, of course, at this point it is still the normal raspberry model). If this works, then you can modify these two files to meet your requirements.

There is information on what these files contain, and therefore what you may need to change, here:

                https://www.sasview.org/downloads/creating_custom_fitting_models_in_sasview_v5.pdf

                https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html

Does this help answer your query?


Kind regards,
Steve King


On behalf of the Development Team

SasView is a not-for-profit collaboration. If you would like to get involved, please visit https://www.sasview.org/contribute/


From: users <users-bounces at lists.sasview.org> On Behalf Of Constantina Sofroniou via users
Sent: 08 January 2024 11:57
To: users at sasview.org
Subject: [SasView Users] Inquiry Regarding Model Fitting

Dear SasView team,

I hope this email finds you well. My name is Constantina, and I am a post-doc at the Department of Materials, Loughborough University.

I have a specific inquiry and am uncertain about the appropriate contact person. We are currently researching liposome-gold nanoparticle interactions and have acquired recent SANS data that poses challenges when fitting it with existing models. Our hypothesis is that gold nanoparticles penetrate the liposome phospholipid bilayer. After reviewing available models, we believe that the raspberry model, with a modification to incorporate a core in the large particle, would be the most suitable for our data (https://www.sasview.org/docs/user/models/raspberry.html).

Could you please direct me to the right person or provide assistance in connecting with someone who can help us modify the model as described?

Thank you in advance for your time and support.

Best regards,
Constantina

--
Constantina Sofroniou, PhD (she/her)

Postdoctoral Research Associate
Department of Materials
Loughborough University
LE11 3TU Loughborough
Leicesterhire
United Kingdom

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From users at lists.sasview.org  Wed Apr 17 05:11:10 2024
From: users at lists.sasview.org (Rini P R via users)
Date: Wed, 17 Apr 2024 09:11:10 +0000
Subject: [SasView Users] Inquiry regarding fitting the SAXS data
Message-ID: <OS4P279MB06528645BA298B295A98B880F20F2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>

Dear SasView Team,

I hope this message finds you well. My name is Rini and I am a PhD candidate in the Department of Physics at the Norwegian University of Science and Technology, Trondheim, Norway.

I have a specific question and I'm not sure who to contact. We are working with Pickering emulsions made with food-grade materials and have encountered challenges in fitting the data from our recent SAXS experiment with the available models. We have concluded that combining a structure factor with our current plugin model will enable us to fit our data and extract the information we need.

Could you please direct me to the right person or help me get in touch with someone who can assist us with modifying the model as described?

Thank you in advance for your time and support.

Best regards,
Rini PR

PhD candidate
Institute for Energy Technology (IFE)
Kjeller, Norway

Workplace:
Soft and Complex matter lab
Department of Physics
Norwegian University of Science and Technology (NTNU)
Trondheim, Norway
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From users at lists.sasview.org  Wed Apr 17 10:46:44 2024
From: users at lists.sasview.org (Paul Butler via users)
Date: Wed, 17 Apr 2024 10:46:44 -0400
Subject: [SasView Users] Inquiry regarding fitting the SAXS data
In-Reply-To: <OS4P279MB06528645BA298B295A98B880F20F2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>
References: <OS4P279MB06528645BA298B295A98B880F20F2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>
Message-ID: <CAMF-Q0UN4gsCRM_XYpFBvo4jsJxp=NUxn4+TC9EYSc_P4kNODw@mail.gmail.com>

Hi Rini,

Just to clarify your question. I assume you are saying that the “raspberry
model,” which was developed by the Pozzo group at the University of
Washington to model pickering emulsions is not suitable for your case and
you have developed your own plugin model?

Or is the question how to write a plugin model based on a model you have
developed theoretically? Or is the question that your plugin does not allow
you to multiply a structure factor with it?. Or are you wanting to write
your own structure factor plugin? If in fact that next to last is what you
are looking for, that should be pretty straightforward. Basically you will
need to define the effective radius for interactions in your plugin model
as described here:
https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#form-factors

If you also want to be able to include the beta approximation option you
will also need to calculate the F(Q) in your model (currently would require
a c model) and declare that Fq is available in the python part of your
model as described here:
https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#structure-factors

Finally, if you want to create a structure factor you just need to include
that flag (structure_factor=true) as explained here:
https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#model-definition

Also we now have a tutorial on writing custom models available here:
https://www.sasview.org/downloads/creating_custom_fitting_models_in_sasview_v5.pdf

Let me know if any of this helps, if you need more information, or if you
are looking for something completely different

Stay safe

Paul Butler

developer team member


On Wed, Apr 17, 2024 at 5:11 AM Rini P R via users <users at lists.sasview.org>
wrote:

> Dear SasView Team,
>
> I hope this message finds you well. My name is Rini and I am a PhD
> candidate in the Department of Physics at the Norwegian University of
> Science and Technology, Trondheim, Norway.
>
> I have a specific question and I'm not sure who to contact. We are working
> with Pickering emulsions made with food-grade materials and have
> encountered challenges in fitting the data from our recent SAXS experiment
> with the available models. We have concluded that combining a structure
> factor with our current plugin model will enable us to fit our data and
> extract the information we need.
>
> Could you please direct me to the right person or help me get in touch
> with someone who can assist us with modifying the model as described?
>
> Thank you in advance for your time and support.
>
> Best regards,
> Rini PR
>
> PhD candidate
> Institute for Energy Technology (IFE)
> Kjeller, Norway
>
> Workplace:
> Soft and Complex matter lab
> Department of Physics
> Norwegian University of Science and Technology (NTNU)
> Trondheim, Norway
> _______________________________________________
> users mailing list
> users at lists.sasview.org
> http://lists.sasview.org/cgi-bin/mailman/listinfo/users
>
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From users at lists.sasview.org  Thu Apr 18 05:12:04 2024
From: users at lists.sasview.org (Rini P R via users)
Date: Thu, 18 Apr 2024 09:12:04 +0000
Subject: [SasView Users] Inquiry regarding fitting the SAXS data
Message-ID: <OS4P279MB0652ED412DA83756F74F8AECF20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>

Hi Paul,

Thank you very much for your email and for providing all the helpful links. It helps a lot!

I have found that the Raspberry model is not suitable for my systems, so I have created a plugin model using the power law and a cylinder. However, I needed to include the hayter_msa as structure factor. The tutorial showed how to include the structure factor in these plugin models, and I tried to follow the same steps.
[cid:86df6596-a5bf-4b17-a433-caa8f0f6b7a6]

[cid:7ecbfbc7-e18e-4ea2-ae0b-2d12632bc35c]

But when I tried to do that I am getting an error message in Sasview as

[cid:f6b1c3fe-8b00-4a40-a367-286adf4d1faf]
I tried to multiply the plugin model with structure factor, but I do not get the screen that I am supposed to get.

I am using sasview 6.0.0a1 which I downloaded from the github.

Could you please look into it and tell me what is the source of the error?

Best regards,
Rini PR

PhD candidate
Institute for Energy Technology (IFE)
Kjeller, Norway

Workplace:
Soft and Complex matter lab
Department of Physics
Norwegian University of Science and Technology (NTNU)
Trondheim, Norway
________________________________
From: Paul Butler <butlerpd at udel.edu>
Sent: Wednesday, April 17, 2024 16:46
To: Rini P R <rinipr at stud.ntnu.no>
Cc: users at sasview.org <users at sasview.org>
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data


Hi Rini,


Just to clarify your question. I assume you are saying that the “raspberry model,” which was developed by the Pozzo group at the University of Washington to model pickering emulsions is not suitable for your case and you have developed your own plugin model?

Or is the question how to write a plugin model based on a model you have developed theoretically? Or is the question that your plugin does not allow you to multiply a structure factor with it?. Or are you wanting to write your own structure factor plugin? If in fact that next to last is what you are looking for, that should be pretty straightforward. Basically you will need to define the effective radius for interactions in your plugin model as described here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#form-factors

If you also want to be able to include the beta approximation option you will also need to calculate the F(Q) in your model (currently would require a c model) and declare that Fq is available in the python part of your model as described here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#structure-factors

Finally, if you want to create a structure factor you just need to include that flag (structure_factor=true) as explained here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#model-definition


Also we now have a tutorial on writing custom models available here: https://www.sasview.org/downloads/creating_custom_fitting_models_in_sasview_v5.pdf


Let me know if any of this helps, if you need more information, or if you are looking for something completely different


Stay safe


Paul Butler

developer team member


On Wed, Apr 17, 2024 at 5:11 AM Rini P R via users <users at lists.sasview.org<mailto:users at lists.sasview.org>> wrote:
Dear SasView Team,

I hope this message finds you well. My name is Rini and I am a PhD candidate in the Department of Physics at the Norwegian University of Science and Technology, Trondheim, Norway.

I have a specific question and I'm not sure who to contact. We are working with Pickering emulsions made with food-grade materials and have encountered challenges in fitting the data from our recent SAXS experiment with the available models. We have concluded that combining a structure factor with our current plugin model will enable us to fit our data and extract the information we need.

Could you please direct me to the right person or help me get in touch with someone who can assist us with modifying the model as described?

Thank you in advance for your time and support.

Best regards,
Rini PR

PhD candidate
Institute for Energy Technology (IFE)
Kjeller, Norway

Workplace:
Soft and Complex matter lab
Department of Physics
Norwegian University of Science and Technology (NTNU)
Trondheim, Norway
_______________________________________________
users mailing list
users at lists.sasview.org<mailto:users at lists.sasview.org>
http://lists.sasview.org/cgi-bin/mailman/listinfo/users
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From users at lists.sasview.org  Thu Apr 18 05:18:10 2024
From: users at lists.sasview.org (Stephen King - STFC UKRI via users)
Date: Thu, 18 Apr 2024 09:18:10 +0000
Subject: [SasView Users] Inquiry regarding fitting the SAXS data
In-Reply-To: <OS4P279MB0652ED412DA83756F74F8AECF20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>
References: <OS4P279MB0652ED412DA83756F74F8AECF20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>
Message-ID: <LO2P265MB50399B428D59084D43971C12B00E2@LO2P265MB5039.GBRP265.PROD.OUTLOOK.COM>

Dear Rini,

Please could you install release version 5.0.6 and try that.

Kind regards,
Steve King


On behalf of the Development Team

SasView is a not-for-profit collaboration. If you would like to get involved, please visit https://www.sasview.org/contribute/



From: users <users-bounces at lists.sasview.org> On Behalf Of Rini P R via users
Sent: 18 April 2024 10:12
To: Paul Butler <butlerpd at udel.edu>
Cc: users at sasview.org
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data

Hi Paul,

Thank you very much for your email and for providing all the helpful links. It helps a lot!

I have found that the Raspberry model is not suitable for my systems, so I have created a plugin model using the power law and a cylinder. However, I needed to include the hayter_msa as structure factor. The tutorial showed how to include the structure factor in these plugin models, and I tried to follow the same steps.
[cid:image001.png at 01DA9179.B5786E90]

[cid:image002.png at 01DA9179.B5786E90]

But when I tried to do that I am getting an error message in Sasview as

[cid:image003.png at 01DA9179.B5786E90]
I tried to multiply the plugin model with structure factor, but I do not get the screen that I am supposed to get.

I am using sasview 6.0.0a1 which I downloaded from the github.

Could you please look into it and tell me what is the source of the error?

Best regards,
Rini PR

PhD candidate
Institute for Energy Technology (IFE)
Kjeller, Norway

Workplace:
Soft and Complex matter lab
Department of Physics
Norwegian University of Science and Technology (NTNU)
Trondheim, Norway
________________________________
From: Paul Butler <butlerpd at udel.edu<mailto:butlerpd at udel.edu>>
Sent: Wednesday, April 17, 2024 16:46
To: Rini P R <rinipr at stud.ntnu.no<mailto:rinipr at stud.ntnu.no>>
Cc: users at sasview.org<mailto:users at sasview.org> <users at sasview.org<mailto:users at sasview.org>>
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data


Hi Rini,


Just to clarify your question. I assume you are saying that the “raspberry model,” which was developed by the Pozzo group at the University of Washington to model pickering emulsions is not suitable for your case and you have developed your own plugin model?

Or is the question how to write a plugin model based on a model you have developed theoretically? Or is the question that your plugin does not allow you to multiply a structure factor with it?. Or are you wanting to write your own structure factor plugin? If in fact that next to last is what you are looking for, that should be pretty straightforward. Basically you will need to define the effective radius for interactions in your plugin model as described here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#form-factors

If you also want to be able to include the beta approximation option you will also need to calculate the F(Q) in your model (currently would require a c model) and declare that Fq is available in the python part of your model as described here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#structure-factors

Finally, if you want to create a structure factor you just need to include that flag (structure_factor=true) as explained here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#model-definition


Also we now have a tutorial on writing custom models available here: https://www.sasview.org/downloads/creating_custom_fitting_models_in_sasview_v5.pdf


Let me know if any of this helps, if you need more information, or if you are looking for something completely different


Stay safe


Paul Butler

developer team member


On Wed, Apr 17, 2024 at 5:11 AM Rini P R via users <users at lists.sasview.org<mailto:users at lists.sasview.org>> wrote:
Dear SasView Team,

I hope this message finds you well. My name is Rini and I am a PhD candidate in the Department of Physics at the Norwegian University of Science and Technology, Trondheim, Norway.

I have a specific question and I'm not sure who to contact. We are working with Pickering emulsions made with food-grade materials and have encountered challenges in fitting the data from our recent SAXS experiment with the available models. We have concluded that combining a structure factor with our current plugin model will enable us to fit our data and extract the information we need.

Could you please direct me to the right person or help me get in touch with someone who can assist us with modifying the model as described?

Thank you in advance for your time and support.

Best regards,
Rini PR

PhD candidate
Institute for Energy Technology (IFE)
Kjeller, Norway

Workplace:
Soft and Complex matter lab
Department of Physics
Norwegian University of Science and Technology (NTNU)
Trondheim, Norway
_______________________________________________
users mailing list
users at lists.sasview.org<mailto:users at lists.sasview.org>
http://lists.sasview.org/cgi-bin/mailman/listinfo/users
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From users at lists.sasview.org  Thu Apr 18 05:52:53 2024
From: users at lists.sasview.org (Rini P R via users)
Date: Thu, 18 Apr 2024 09:52:53 +0000
Subject: [SasView Users] Inquiry regarding fitting the SAXS data
In-Reply-To: <LO2P265MB50399B428D59084D43971C12B00E2@LO2P265MB5039.GBRP265.PROD.OUTLOOK.COM>
References: <OS4P279MB0652ED412DA83756F74F8AECF20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>
 <LO2P265MB50399B428D59084D43971C12B00E2@LO2P265MB5039.GBRP265.PROD.OUTLOOK.COM>
Message-ID: <OS4P279MB065292C97EB9FA25F1E170D4F20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>

Dear Stephen,

Thank you for the email. I downloaded the latest version from the website and tried again. But I am getting a different error message.

[cid:79cb5a99-f972-4c08-a651-43d9ef63224e]

[cid:c5f4588e-6c8a-4e15-808a-2cf68b44af5f]



Best regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

________________________________
From: Stephen King - STFC UKRI <stephen.king at stfc.ac.uk>
Sent: Thursday, April 18, 2024 11:18
To: Rini P R <rinipr at stud.ntnu.no>
Cc: users at sasview.org <users at sasview.org>
Subject: RE: [SasView Users] Inquiry regarding fitting the SAXS data


Dear Rini,



Please could you install release version 5.0.6 and try that.



Kind regards,

Steve King





On behalf of the Development Team



SasView is a not-for-profit collaboration. If you would like to get involved, please visit https://www.sasview.org/contribute/







From: users <users-bounces at lists.sasview.org> On Behalf Of Rini P R via users
Sent: 18 April 2024 10:12
To: Paul Butler <butlerpd at udel.edu>
Cc: users at sasview.org
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data



Hi Paul,



Thank you very much for your email and for providing all the helpful links. It helps a lot!



I have found that the Raspberry model is not suitable for my systems, so I have created a plugin model using the power law and a cylinder. However, I needed to include the hayter_msa as structure factor. The tutorial showed how to include the structure factor in these plugin models, and I tried to follow the same steps.

[cid:image001.png at 01DA9179.B5786E90]



[cid:image002.png at 01DA9179.B5786E90]



But when I tried to do that I am getting an error message in Sasview as



[cid:image003.png at 01DA9179.B5786E90]

I tried to multiply the plugin model with structure factor, but I do not get the screen that I am supposed to get.



I am using sasview 6.0.0a1 which I downloaded from the github.



Could you please look into it and tell me what is the source of the error?



Best regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

________________________________

From: Paul Butler <butlerpd at udel.edu<mailto:butlerpd at udel.edu>>
Sent: Wednesday, April 17, 2024 16:46
To: Rini P R <rinipr at stud.ntnu.no<mailto:rinipr at stud.ntnu.no>>
Cc: users at sasview.org<mailto:users at sasview.org> <users at sasview.org<mailto:users at sasview.org>>
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data



Hi Rini,



Just to clarify your question. I assume you are saying that the “raspberry model,” which was developed by the Pozzo group at the University of Washington to model pickering emulsions is not suitable for your case and you have developed your own plugin model?

Or is the question how to write a plugin model based on a model you have developed theoretically? Or is the question that your plugin does not allow you to multiply a structure factor with it?. Or are you wanting to write your own structure factor plugin? If in fact that next to last is what you are looking for, that should be pretty straightforward. Basically you will need to define the effective radius for interactions in your plugin model as described here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#form-factors

If you also want to be able to include the beta approximation option you will also need to calculate the F(Q) in your model (currently would require a c model) and declare that Fq is available in the python part of your model as described here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#structure-factors

Finally, if you want to create a structure factor you just need to include that flag (structure_factor=true) as explained here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#model-definition



Also we now have a tutorial on writing custom models available here: https://www.sasview.org/downloads/creating_custom_fitting_models_in_sasview_v5.pdf



Let me know if any of this helps, if you need more information, or if you are looking for something completely different



Stay safe



Paul Butler

developer team member





On Wed, Apr 17, 2024 at 5:11 AM Rini P R via users <users at lists.sasview.org<mailto:users at lists.sasview.org>> wrote:

Dear SasView Team,



I hope this message finds you well. My name is Rini and I am a PhD candidate in the Department of Physics at the Norwegian University of Science and Technology, Trondheim, Norway.



I have a specific question and I'm not sure who to contact. We are working with Pickering emulsions made with food-grade materials and have encountered challenges in fitting the data from our recent SAXS experiment with the available models. We have concluded that combining a structure factor with our current plugin model will enable us to fit our data and extract the information we need.



Could you please direct me to the right person or help me get in touch with someone who can assist us with modifying the model as described?



Thank you in advance for your time and support.



Best regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

_______________________________________________
users mailing list
users at lists.sasview.org<mailto:users at lists.sasview.org>
http://lists.sasview.org/cgi-bin/mailman/listinfo/users
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From users at lists.sasview.org  Thu Apr 18 06:10:33 2024
From: users at lists.sasview.org (Stephen King - STFC UKRI via users)
Date: Thu, 18 Apr 2024 10:10:33 +0000
Subject: [SasView Users] Inquiry regarding fitting the SAXS data
In-Reply-To: <OS4P279MB065292C97EB9FA25F1E170D4F20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>
References: <OS4P279MB0652ED412DA83756F74F8AECF20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>
 <LO2P265MB50399B428D59084D43971C12B00E2@LO2P265MB5039.GBRP265.PROD.OUTLOOK.COM>
 <OS4P279MB065292C97EB9FA25F1E170D4F20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>
Message-ID: <LO2P265MB50390D2EFB122DB130C9CB3CB00E2@LO2P265MB5039.GBRP265.PROD.OUTLOOK.COM>

Dear Rini,

Your file is called example1 but the model name is called example2. Please can you make them the same and try again. In the tutorial example (p9) it does say save the file as example2. The actual names are less important than the need for them to be the same. This is a bug we haven’t gotten around to fixing yet.

Kind regards,
Steve

From: Rini P R <rinipr at stud.ntnu.no>
Sent: 18 April 2024 10:53
To: King, Stephen (STFC,RAL,ISIS) <stephen.king at stfc.ac.uk>
Cc: users at sasview.org
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data

Dear Stephen,

Thank you for the email. I downloaded the latest version from the website and tried again. But I am getting a different error message.

[cid:image004.png at 01DA9181.07312180]

[cid:image005.png at 01DA9181.07312180]



Best regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

________________________________
From: Stephen King - STFC UKRI <stephen.king at stfc.ac.uk<mailto:stephen.king at stfc.ac.uk>>
Sent: Thursday, April 18, 2024 11:18
To: Rini P R <rinipr at stud.ntnu.no<mailto:rinipr at stud.ntnu.no>>
Cc: users at sasview.org<mailto:users at sasview.org> <users at sasview.org<mailto:users at sasview.org>>
Subject: RE: [SasView Users] Inquiry regarding fitting the SAXS data


Dear Rini,



Please could you install release version 5.0.6 and try that.



Kind regards,

Steve King





On behalf of the Development Team



SasView is a not-for-profit collaboration. If you would like to get involved, please visit https://www.sasview.org/contribute/







From: users <users-bounces at lists.sasview.org<mailto:users-bounces at lists.sasview.org>> On Behalf Of Rini P R via users
Sent: 18 April 2024 10:12
To: Paul Butler <butlerpd at udel.edu<mailto:butlerpd at udel.edu>>
Cc: users at sasview.org<mailto:users at sasview.org>
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data



Hi Paul,



Thank you very much for your email and for providing all the helpful links. It helps a lot!



I have found that the Raspberry model is not suitable for my systems, so I have created a plugin model using the power law and a cylinder. However, I needed to include the hayter_msa as structure factor. The tutorial showed how to include the structure factor in these plugin models, and I tried to follow the same steps.

[cid:image006.png at 01DA9181.07312180]



[cid:image007.png at 01DA9181.07312180]



But when I tried to do that I am getting an error message in Sasview as



[cid:image008.png at 01DA9181.07312180]

I tried to multiply the plugin model with structure factor, but I do not get the screen that I am supposed to get.



I am using sasview 6.0.0a1 which I downloaded from the github.



Could you please look into it and tell me what is the source of the error?



Best regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

________________________________

From: Paul Butler <butlerpd at udel.edu<mailto:butlerpd at udel.edu>>
Sent: Wednesday, April 17, 2024 16:46
To: Rini P R <rinipr at stud.ntnu.no<mailto:rinipr at stud.ntnu.no>>
Cc: users at sasview.org<mailto:users at sasview.org> <users at sasview.org<mailto:users at sasview.org>>
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data



Hi Rini,



Just to clarify your question. I assume you are saying that the “raspberry model,” which was developed by the Pozzo group at the University of Washington to model pickering emulsions is not suitable for your case and you have developed your own plugin model?

Or is the question how to write a plugin model based on a model you have developed theoretically? Or is the question that your plugin does not allow you to multiply a structure factor with it?. Or are you wanting to write your own structure factor plugin? If in fact that next to last is what you are looking for, that should be pretty straightforward. Basically you will need to define the effective radius for interactions in your plugin model as described here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#form-factors

If you also want to be able to include the beta approximation option you will also need to calculate the F(Q) in your model (currently would require a c model) and declare that Fq is available in the python part of your model as described here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#structure-factors

Finally, if you want to create a structure factor you just need to include that flag (structure_factor=true) as explained here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#model-definition



Also we now have a tutorial on writing custom models available here: https://www.sasview.org/downloads/creating_custom_fitting_models_in_sasview_v5.pdf



Let me know if any of this helps, if you need more information, or if you are looking for something completely different



Stay safe



Paul Butler

developer team member





On Wed, Apr 17, 2024 at 5:11 AM Rini P R via users <users at lists.sasview.org<mailto:users at lists.sasview.org>> wrote:

Dear SasView Team,



I hope this message finds you well. My name is Rini and I am a PhD candidate in the Department of Physics at the Norwegian University of Science and Technology, Trondheim, Norway.



I have a specific question and I'm not sure who to contact. We are working with Pickering emulsions made with food-grade materials and have encountered challenges in fitting the data from our recent SAXS experiment with the available models. We have concluded that combining a structure factor with our current plugin model will enable us to fit our data and extract the information we need.



Could you please direct me to the right person or help me get in touch with someone who can assist us with modifying the model as described?



Thank you in advance for your time and support.



Best regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

_______________________________________________
users mailing list
users at lists.sasview.org<mailto:users at lists.sasview.org>
http://lists.sasview.org/cgi-bin/mailman/listinfo/users
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From users at lists.sasview.org  Thu Apr 18 08:27:57 2024
From: users at lists.sasview.org (Rini P R via users)
Date: Thu, 18 Apr 2024 12:27:57 +0000
Subject: [SasView Users] Inquiry regarding fitting the SAXS data
In-Reply-To: <LO2P265MB50390D2EFB122DB130C9CB3CB00E2@LO2P265MB5039.GBRP265.PROD.OUTLOOK.COM>
References: <OS4P279MB0652ED412DA83756F74F8AECF20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>
 <LO2P265MB50399B428D59084D43971C12B00E2@LO2P265MB5039.GBRP265.PROD.OUTLOOK.COM>
 <OS4P279MB065292C97EB9FA25F1E170D4F20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>
 <LO2P265MB50390D2EFB122DB130C9CB3CB00E2@LO2P265MB5039.GBRP265.PROD.OUTLOOK.COM>
Message-ID: <OS4P279MB0652394059A7330C295AECD9F20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>

Dear Stephen,

Thank you very much. It works now! I created a new python file for the new model instead of saving it into the older one.
[cid:b9fe5172-e2bb-44ca-be5f-27a588d5a30a]

Kind regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

________________________________
From: Stephen King - STFC UKRI <stephen.king at stfc.ac.uk>
Sent: Thursday, April 18, 2024 12:10
To: Rini P R <rinipr at stud.ntnu.no>
Cc: users at sasview.org <users at sasview.org>
Subject: RE: [SasView Users] Inquiry regarding fitting the SAXS data


Dear Rini,



Your file is called example1 but the model name is called example2. Please can you make them the same and try again. In the tutorial example (p9) it does say save the file as example2. The actual names are less important than the need for them to be the same. This is a bug we haven’t gotten around to fixing yet.



Kind regards,
Steve



From: Rini P R <rinipr at stud.ntnu.no>
Sent: 18 April 2024 10:53
To: King, Stephen (STFC,RAL,ISIS) <stephen.king at stfc.ac.uk>
Cc: users at sasview.org
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data



Dear Stephen,



Thank you for the email. I downloaded the latest version from the website and tried again. But I am getting a different error message.



[cid:image004.png at 01DA9181.07312180]



[cid:image005.png at 01DA9181.07312180]





Best regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

________________________________

From: Stephen King - STFC UKRI <stephen.king at stfc.ac.uk<mailto:stephen.king at stfc.ac.uk>>
Sent: Thursday, April 18, 2024 11:18
To: Rini P R <rinipr at stud.ntnu.no<mailto:rinipr at stud.ntnu.no>>
Cc: users at sasview.org<mailto:users at sasview.org> <users at sasview.org<mailto:users at sasview.org>>
Subject: RE: [SasView Users] Inquiry regarding fitting the SAXS data



Dear Rini,



Please could you install release version 5.0.6 and try that.



Kind regards,

Steve King





On behalf of the Development Team



SasView is a not-for-profit collaboration. If you would like to get involved, please visit https://www.sasview.org/contribute/







From: users <users-bounces at lists.sasview.org<mailto:users-bounces at lists.sasview.org>> On Behalf Of Rini P R via users
Sent: 18 April 2024 10:12
To: Paul Butler <butlerpd at udel.edu<mailto:butlerpd at udel.edu>>
Cc: users at sasview.org<mailto:users at sasview.org>
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data



Hi Paul,



Thank you very much for your email and for providing all the helpful links. It helps a lot!



I have found that the Raspberry model is not suitable for my systems, so I have created a plugin model using the power law and a cylinder. However, I needed to include the hayter_msa as structure factor. The tutorial showed how to include the structure factor in these plugin models, and I tried to follow the same steps.

[cid:image006.png at 01DA9181.07312180]



[cid:image007.png at 01DA9181.07312180]



But when I tried to do that I am getting an error message in Sasview as



[cid:image008.png at 01DA9181.07312180]

I tried to multiply the plugin model with structure factor, but I do not get the screen that I am supposed to get.



I am using sasview 6.0.0a1 which I downloaded from the github.



Could you please look into it and tell me what is the source of the error?



Best regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

________________________________

From: Paul Butler <butlerpd at udel.edu<mailto:butlerpd at udel.edu>>
Sent: Wednesday, April 17, 2024 16:46
To: Rini P R <rinipr at stud.ntnu.no<mailto:rinipr at stud.ntnu.no>>
Cc: users at sasview.org<mailto:users at sasview.org> <users at sasview.org<mailto:users at sasview.org>>
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data



Hi Rini,



Just to clarify your question. I assume you are saying that the “raspberry model,” which was developed by the Pozzo group at the University of Washington to model pickering emulsions is not suitable for your case and you have developed your own plugin model?

Or is the question how to write a plugin model based on a model you have developed theoretically? Or is the question that your plugin does not allow you to multiply a structure factor with it?. Or are you wanting to write your own structure factor plugin? If in fact that next to last is what you are looking for, that should be pretty straightforward. Basically you will need to define the effective radius for interactions in your plugin model as described here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#form-factors

If you also want to be able to include the beta approximation option you will also need to calculate the F(Q) in your model (currently would require a c model) and declare that Fq is available in the python part of your model as described here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#structure-factors

Finally, if you want to create a structure factor you just need to include that flag (structure_factor=true) as explained here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#model-definition



Also we now have a tutorial on writing custom models available here: https://www.sasview.org/downloads/creating_custom_fitting_models_in_sasview_v5.pdf



Let me know if any of this helps, if you need more information, or if you are looking for something completely different



Stay safe



Paul Butler

developer team member





On Wed, Apr 17, 2024 at 5:11 AM Rini P R via users <users at lists.sasview.org<mailto:users at lists.sasview.org>> wrote:

Dear SasView Team,



I hope this message finds you well. My name is Rini and I am a PhD candidate in the Department of Physics at the Norwegian University of Science and Technology, Trondheim, Norway.



I have a specific question and I'm not sure who to contact. We are working with Pickering emulsions made with food-grade materials and have encountered challenges in fitting the data from our recent SAXS experiment with the available models. We have concluded that combining a structure factor with our current plugin model will enable us to fit our data and extract the information we need.



Could you please direct me to the right person or help me get in touch with someone who can assist us with modifying the model as described?



Thank you in advance for your time and support.



Best regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

_______________________________________________
users mailing list
users at lists.sasview.org<mailto:users at lists.sasview.org>
http://lists.sasview.org/cgi-bin/mailman/listinfo/users
-------------- next part --------------
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From users at lists.sasview.org  Thu Apr 18 08:32:10 2024
From: users at lists.sasview.org (Stephen King - STFC UKRI via users)
Date: Thu, 18 Apr 2024 12:32:10 +0000
Subject: [SasView Users] Inquiry regarding fitting the SAXS data
In-Reply-To: <OS4P279MB0652394059A7330C295AECD9F20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>
References: <OS4P279MB0652ED412DA83756F74F8AECF20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>
 <LO2P265MB50399B428D59084D43971C12B00E2@LO2P265MB5039.GBRP265.PROD.OUTLOOK.COM>
 <OS4P279MB065292C97EB9FA25F1E170D4F20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>
 <LO2P265MB50390D2EFB122DB130C9CB3CB00E2@LO2P265MB5039.GBRP265.PROD.OUTLOOK.COM>
 <OS4P279MB0652394059A7330C295AECD9F20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>
Message-ID: <LO2P265MB5039023EA798E4F0C53CDC97B00E2@LO2P265MB5039.GBRP265.PROD.OUTLOOK.COM>

Dear Rini,

Ok, that’s good to hear!

Does that new model now work in 6.0.0a1? If it does not, please could you make a copy of the file, rename it to .txt instead of .py and send it to us.

Kind regards,
Steve

From: Rini P R <rinipr at stud.ntnu.no>
Sent: 18 April 2024 13:28
To: King, Stephen (STFC,RAL,ISIS) <stephen.king at stfc.ac.uk>
Cc: users at sasview.org
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data

Dear Stephen,

Thank you very much. It works now! I created a new python file for the new model instead of saving it into the older one.
[cid:image001.png at 01DA9194.CFD15200]

Kind regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

________________________________
From: Stephen King - STFC UKRI <stephen.king at stfc.ac.uk<mailto:stephen.king at stfc.ac.uk>>
Sent: Thursday, April 18, 2024 12:10
To: Rini P R <rinipr at stud.ntnu.no<mailto:rinipr at stud.ntnu.no>>
Cc: users at sasview.org<mailto:users at sasview.org> <users at sasview.org<mailto:users at sasview.org>>
Subject: RE: [SasView Users] Inquiry regarding fitting the SAXS data


Dear Rini,



Your file is called example1 but the model name is called example2. Please can you make them the same and try again. In the tutorial example (p9) it does say save the file as example2. The actual names are less important than the need for them to be the same. This is a bug we haven’t gotten around to fixing yet.



Kind regards,
Steve



From: Rini P R <rinipr at stud.ntnu.no<mailto:rinipr at stud.ntnu.no>>
Sent: 18 April 2024 10:53
To: King, Stephen (STFC,RAL,ISIS) <stephen.king at stfc.ac.uk<mailto:stephen.king at stfc.ac.uk>>
Cc: users at sasview.org<mailto:users at sasview.org>
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data



Dear Stephen,



Thank you for the email. I downloaded the latest version from the website and tried again. But I am getting a different error message.



[cid:image002.png at 01DA9194.CFD15200]



[cid:image003.png at 01DA9194.CFD15200]





Best regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

________________________________

From: Stephen King - STFC UKRI <stephen.king at stfc.ac.uk<mailto:stephen.king at stfc.ac.uk>>
Sent: Thursday, April 18, 2024 11:18
To: Rini P R <rinipr at stud.ntnu.no<mailto:rinipr at stud.ntnu.no>>
Cc: users at sasview.org<mailto:users at sasview.org> <users at sasview.org<mailto:users at sasview.org>>
Subject: RE: [SasView Users] Inquiry regarding fitting the SAXS data



Dear Rini,



Please could you install release version 5.0.6 and try that.



Kind regards,

Steve King





On behalf of the Development Team



SasView is a not-for-profit collaboration. If you would like to get involved, please visit https://www.sasview.org/contribute/







From: users <users-bounces at lists.sasview.org<mailto:users-bounces at lists.sasview.org>> On Behalf Of Rini P R via users
Sent: 18 April 2024 10:12
To: Paul Butler <butlerpd at udel.edu<mailto:butlerpd at udel.edu>>
Cc: users at sasview.org<mailto:users at sasview.org>
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data



Hi Paul,



Thank you very much for your email and for providing all the helpful links. It helps a lot!



I have found that the Raspberry model is not suitable for my systems, so I have created a plugin model using the power law and a cylinder. However, I needed to include the hayter_msa as structure factor. The tutorial showed how to include the structure factor in these plugin models, and I tried to follow the same steps.

[cid:image004.png at 01DA9194.CFD15200]



[cid:image005.png at 01DA9194.CFD15200]



But when I tried to do that I am getting an error message in Sasview as



[cid:image006.png at 01DA9194.CFD15200]

I tried to multiply the plugin model with structure factor, but I do not get the screen that I am supposed to get.



I am using sasview 6.0.0a1 which I downloaded from the github.



Could you please look into it and tell me what is the source of the error?



Best regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

________________________________

From: Paul Butler <butlerpd at udel.edu<mailto:butlerpd at udel.edu>>
Sent: Wednesday, April 17, 2024 16:46
To: Rini P R <rinipr at stud.ntnu.no<mailto:rinipr at stud.ntnu.no>>
Cc: users at sasview.org<mailto:users at sasview.org> <users at sasview.org<mailto:users at sasview.org>>
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data



Hi Rini,



Just to clarify your question. I assume you are saying that the “raspberry model,” which was developed by the Pozzo group at the University of Washington to model pickering emulsions is not suitable for your case and you have developed your own plugin model?

Or is the question how to write a plugin model based on a model you have developed theoretically? Or is the question that your plugin does not allow you to multiply a structure factor with it?. Or are you wanting to write your own structure factor plugin? If in fact that next to last is what you are looking for, that should be pretty straightforward. Basically you will need to define the effective radius for interactions in your plugin model as described here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#form-factors

If you also want to be able to include the beta approximation option you will also need to calculate the F(Q) in your model (currently would require a c model) and declare that Fq is available in the python part of your model as described here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#structure-factors

Finally, if you want to create a structure factor you just need to include that flag (structure_factor=true) as explained here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#model-definition



Also we now have a tutorial on writing custom models available here: https://www.sasview.org/downloads/creating_custom_fitting_models_in_sasview_v5.pdf



Let me know if any of this helps, if you need more information, or if you are looking for something completely different



Stay safe



Paul Butler

developer team member





On Wed, Apr 17, 2024 at 5:11 AM Rini P R via users <users at lists.sasview.org<mailto:users at lists.sasview.org>> wrote:

Dear SasView Team,



I hope this message finds you well. My name is Rini and I am a PhD candidate in the Department of Physics at the Norwegian University of Science and Technology, Trondheim, Norway.



I have a specific question and I'm not sure who to contact. We are working with Pickering emulsions made with food-grade materials and have encountered challenges in fitting the data from our recent SAXS experiment with the available models. We have concluded that combining a structure factor with our current plugin model will enable us to fit our data and extract the information we need.



Could you please direct me to the right person or help me get in touch with someone who can assist us with modifying the model as described?



Thank you in advance for your time and support.



Best regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

_______________________________________________
users mailing list
users at lists.sasview.org<mailto:users at lists.sasview.org>
http://lists.sasview.org/cgi-bin/mailman/listinfo/users
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From users at lists.sasview.org  Thu Apr 18 09:37:50 2024
From: users at lists.sasview.org (Rini P R via users)
Date: Thu, 18 Apr 2024 13:37:50 +0000
Subject: [SasView Users] Inquiry regarding fitting the SAXS data
In-Reply-To: <LO2P265MB5039023EA798E4F0C53CDC97B00E2@LO2P265MB5039.GBRP265.PROD.OUTLOOK.COM>
References: <OS4P279MB0652ED412DA83756F74F8AECF20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>
 <LO2P265MB50399B428D59084D43971C12B00E2@LO2P265MB5039.GBRP265.PROD.OUTLOOK.COM>
 <OS4P279MB065292C97EB9FA25F1E170D4F20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>
 <LO2P265MB50390D2EFB122DB130C9CB3CB00E2@LO2P265MB5039.GBRP265.PROD.OUTLOOK.COM>
 <OS4P279MB0652394059A7330C295AECD9F20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>
 <LO2P265MB5039023EA798E4F0C53CDC97B00E2@LO2P265MB5039.GBRP265.PROD.OUTLOOK.COM>
Message-ID: <OS4P279MB0652CF7CF938C848BF9B2CFEF20E2@OS4P279MB0652.NORP279.PROD.OUTLOOK.COM>

Dear Stephen,

Yes! it works in 6.0.0a1. Thank you very much for the help.


Kind regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

________________________________
From: Stephen King - STFC UKRI <stephen.king at stfc.ac.uk>
Sent: Thursday, April 18, 2024 14:32
To: Rini P R <rinipr at stud.ntnu.no>
Cc: users at sasview.org <users at sasview.org>
Subject: RE: [SasView Users] Inquiry regarding fitting the SAXS data


Dear Rini,



Ok, that’s good to hear!



Does that new model now work in 6.0.0a1? If it does not, please could you make a copy of the file, rename it to .txt instead of .py and send it to us.



Kind regards,

Steve



From: Rini P R <rinipr at stud.ntnu.no>
Sent: 18 April 2024 13:28
To: King, Stephen (STFC,RAL,ISIS) <stephen.king at stfc.ac.uk>
Cc: users at sasview.org
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data



Dear Stephen,



Thank you very much. It works now! I created a new python file for the new model instead of saving it into the older one.

[cid:image001.png at 01DA9194.CFD15200]



Kind regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

________________________________

From: Stephen King - STFC UKRI <stephen.king at stfc.ac.uk<mailto:stephen.king at stfc.ac.uk>>
Sent: Thursday, April 18, 2024 12:10
To: Rini P R <rinipr at stud.ntnu.no<mailto:rinipr at stud.ntnu.no>>
Cc: users at sasview.org<mailto:users at sasview.org> <users at sasview.org<mailto:users at sasview.org>>
Subject: RE: [SasView Users] Inquiry regarding fitting the SAXS data



Dear Rini,



Your file is called example1 but the model name is called example2. Please can you make them the same and try again. In the tutorial example (p9) it does say save the file as example2. The actual names are less important than the need for them to be the same. This is a bug we haven’t gotten around to fixing yet.



Kind regards,
Steve



From: Rini P R <rinipr at stud.ntnu.no<mailto:rinipr at stud.ntnu.no>>
Sent: 18 April 2024 10:53
To: King, Stephen (STFC,RAL,ISIS) <stephen.king at stfc.ac.uk<mailto:stephen.king at stfc.ac.uk>>
Cc: users at sasview.org<mailto:users at sasview.org>
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data



Dear Stephen,



Thank you for the email. I downloaded the latest version from the website and tried again. But I am getting a different error message.



[cid:image002.png at 01DA9194.CFD15200]



[cid:image003.png at 01DA9194.CFD15200]





Best regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

________________________________

From: Stephen King - STFC UKRI <stephen.king at stfc.ac.uk<mailto:stephen.king at stfc.ac.uk>>
Sent: Thursday, April 18, 2024 11:18
To: Rini P R <rinipr at stud.ntnu.no<mailto:rinipr at stud.ntnu.no>>
Cc: users at sasview.org<mailto:users at sasview.org> <users at sasview.org<mailto:users at sasview.org>>
Subject: RE: [SasView Users] Inquiry regarding fitting the SAXS data



Dear Rini,



Please could you install release version 5.0.6 and try that.



Kind regards,

Steve King





On behalf of the Development Team



SasView is a not-for-profit collaboration. If you would like to get involved, please visit https://www.sasview.org/contribute/







From: users <users-bounces at lists.sasview.org<mailto:users-bounces at lists.sasview.org>> On Behalf Of Rini P R via users
Sent: 18 April 2024 10:12
To: Paul Butler <butlerpd at udel.edu<mailto:butlerpd at udel.edu>>
Cc: users at sasview.org<mailto:users at sasview.org>
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data



Hi Paul,



Thank you very much for your email and for providing all the helpful links. It helps a lot!



I have found that the Raspberry model is not suitable for my systems, so I have created a plugin model using the power law and a cylinder. However, I needed to include the hayter_msa as structure factor. The tutorial showed how to include the structure factor in these plugin models, and I tried to follow the same steps.

[cid:image004.png at 01DA9194.CFD15200]



[cid:image005.png at 01DA9194.CFD15200]



But when I tried to do that I am getting an error message in Sasview as



[cid:image006.png at 01DA9194.CFD15200]

I tried to multiply the plugin model with structure factor, but I do not get the screen that I am supposed to get.



I am using sasview 6.0.0a1 which I downloaded from the github.



Could you please look into it and tell me what is the source of the error?



Best regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

________________________________

From: Paul Butler <butlerpd at udel.edu<mailto:butlerpd at udel.edu>>
Sent: Wednesday, April 17, 2024 16:46
To: Rini P R <rinipr at stud.ntnu.no<mailto:rinipr at stud.ntnu.no>>
Cc: users at sasview.org<mailto:users at sasview.org> <users at sasview.org<mailto:users at sasview.org>>
Subject: Re: [SasView Users] Inquiry regarding fitting the SAXS data



Hi Rini,



Just to clarify your question. I assume you are saying that the “raspberry model,” which was developed by the Pozzo group at the University of Washington to model pickering emulsions is not suitable for your case and you have developed your own plugin model?

Or is the question how to write a plugin model based on a model you have developed theoretically? Or is the question that your plugin does not allow you to multiply a structure factor with it?. Or are you wanting to write your own structure factor plugin? If in fact that next to last is what you are looking for, that should be pretty straightforward. Basically you will need to define the effective radius for interactions in your plugin model as described here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#form-factors

If you also want to be able to include the beta approximation option you will also need to calculate the F(Q) in your model (currently would require a c model) and declare that Fq is available in the python part of your model as described here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#structure-factors

Finally, if you want to create a structure factor you just need to include that flag (structure_factor=true) as explained here: https://www.sasview.org/docs/user/qtgui/Perspectives/Fitting/plugin.html#model-definition



Also we now have a tutorial on writing custom models available here: https://www.sasview.org/downloads/creating_custom_fitting_models_in_sasview_v5.pdf



Let me know if any of this helps, if you need more information, or if you are looking for something completely different



Stay safe



Paul Butler

developer team member





On Wed, Apr 17, 2024 at 5:11 AM Rini P R via users <users at lists.sasview.org<mailto:users at lists.sasview.org>> wrote:

Dear SasView Team,



I hope this message finds you well. My name is Rini and I am a PhD candidate in the Department of Physics at the Norwegian University of Science and Technology, Trondheim, Norway.



I have a specific question and I'm not sure who to contact. We are working with Pickering emulsions made with food-grade materials and have encountered challenges in fitting the data from our recent SAXS experiment with the available models. We have concluded that combining a structure factor with our current plugin model will enable us to fit our data and extract the information we need.



Could you please direct me to the right person or help me get in touch with someone who can assist us with modifying the model as described?



Thank you in advance for your time and support.



Best regards,

Rini PR



PhD candidate

Institute for Energy Technology (IFE)

Kjeller, Norway



Workplace:

Soft and Complex matter lab

Department of Physics

Norwegian University of Science and Technology (NTNU)

Trondheim, Norway

_______________________________________________
users mailing list
users at lists.sasview.org<mailto:users at lists.sasview.org>
http://lists.sasview.org/cgi-bin/mailman/listinfo/users
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