Issue with P(r) calculation in Raw v 2.1.1

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Wellington Claiton Leite

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Jun 7, 2021, 12:42:49 PM6/7/21
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Dear, 

I am having an issue when start the calculation of the P(r) in the RAW v 2.1.1. The error is posted bellow. 

An unexpected error has occurred, please report it to the developers. You may need to restart RAW to continue working.

Error:
Traceback (most recent call last):

  File "site-packages\wx\core.py", line 3259, in <lambda>

  File "bioxtasraw\RAWAnalysis.py", line 4991, in _finishFindDmax

RuntimeError: wrapped C/C++ object of type GNOMControlPanel has been deleted

Jesse Hopkins

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Jun 7, 2021, 12:58:25 PM6/7/21
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Hi Wellington,

That particular error would suggest that you're closing the IFT window before the initial automatic determination of Dmax is finished. Is that the case? If so, you should leave the window open until it displays a P(r) function.

If that's not the issue, please let me know what OS you're using, how you installed RAW (e.g. prebuilt or from source), and if possible send me the dataset that's causing this error so I can troubleshoot. A screenshot of RAW when you see the error message might also help.

All the best.

- Jesse

----
Jesse Hopkins, PhD
Beamline Scientist
BioCAT, Sector 18
Advanced Photon Source


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Wellington Claiton Leite

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Jun 18, 2021, 9:57:55 AM6/18/21
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Hi Jessie, 

 I apologize for the late response, I got busy with other analysis and could not be looking at this. 

I have installed the latest version of RAW 2.1.1 in a Windows OS. Even when I wait until the initial automatic determination of Dmax gets done the same issue shows up. In the screenshot of the Raw windows there are two scattering profiles, the blue one is SAXS data and orange is SANS data, the error mostly happens when I have to analyze the SANS data. I have attached the scattering profiles. 

 Thank you for your help with this.  

Best 

Wellington 

image.png





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Wellington Claiton Leite 
bsN15_2p0_100D.dat
NSP15_8mg_Apo.dat

Jesse Hopkins

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Jun 18, 2021, 10:19:00 AM6/18/21
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Hi Wellington,

It looks like you're using Windows? Is it Windows 10? I was unable to get that error message with either profile that you sent with RAW 2.1.1 on MacOS. If you let me know what your OS is, I'll test and see if it's platform specific.

Also, can you send me the config file you're using (if any)? It's possible it's something particular in your GNOM settings, so using identical conditions would be good.

All the best.

- Jesse

----
Jesse Hopkins, PhD
Deputy Director
BioCAT, Sector 18
Advanced Photon Source

Wellington Claiton Leite

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Jun 18, 2021, 10:32:20 AM6/18/21
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Yes, I am using Windows 10 Enterprise, and I am not using any specific configuration file, what I have is the same from the installer. I also screenshot my GNON configuration here. 
image.png
image.png



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Wellington Claiton Leite 

Jesse Hopkins

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Jun 18, 2021, 10:39:36 AM6/18/21
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Hi Wellington,

I see the problem in your config settings. In the first config screen you sent an image of, set 'Number of points in real space' to 0. RIght now it's set to more than the number of q points, which causes a GNOM error. It's likely that you at some point loaded a config from an older version of RAW that still used 101 as the default, instead of 0, and that's now being loaded by default when you open RAW.

To easily save the change when you next open RAW, just save the configuration once you make the change. Then RAW will automatically load that new config when it opens. Alternatively, when RAW asks to load the last used config file when it starts up, tell it 'No'.

Let me know if that fixes it.

All the best.

- Jesse

----
Jesse Hopkins, PhD
Deputy Director
BioCAT, Sector 18
Advanced Photon Source

Wellington Claiton Leite

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Jun 18, 2021, 12:24:20 PM6/18/21
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HI Jesse, 

Yes, it works well. The issue was the configuration. 

Thank you for your help with this. 

Best 

Wellington  




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Wellington Claiton Leite 
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