test dataset

[Ruby Law]

Hi ,

This is my first time using RAW on my Mac to process what seems to be a standard SEC dataset. However, I'm having trouble generating profile plots after buffer subtraction. I'm unsure whether the issue lies with the installation, my dataset, or user error. Does anyone have suggestions on where I can find a "good" test dataset to check out the setup?

Many thanks,

Ruby

[Jesse Hopkins]

Hi Ruby,

You can find a full tutorial on RAW here:

https://bioxtas-raw.readthedocs.io/en/latest/tutorial.html

In particular, it sounds like the SEC-SAXS section might be of use to you:

https://bioxtas-raw.readthedocs.io/en/latest/tutorial/s1_sec.html

You can download the data used in the tutorial from here (also linked from the tutorial introduction in the documentation):

https://sourceforge.net/projects/bioxtasraw/files/?source=navbar

I hope that helps. Let me know if you have questions.

All the best.

- Jesse

----

Jesse Hopkins, PhD

Deputy Director

BioCAT, Sector 18

Advanced Photon Source

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[Ruby Law]

Thanks very much, Jesse. I’ll take a good look at it and get back to you.

Best regards,
Ruby

[Jesse Hopkins]

Hi Ruby,

A couple of things here. First, can you send me the full text of the error message? There should be more if you scroll down (either take multiple screenshots or copy/paste the text). Second, can you send me your data so I can test it myself and see if I find anything odd?

All the best.

- Jesse

----

Jesse Hopkins, PhD

Deputy Director

BioCAT, Sector 18

Advanced Photon Source

On Tue, Aug 27, 2024 at 4:49 AM Ruby Law <ruby...@monash.edu> wrote:

Hi Jesse,

Many thanks for your quick reply.

I tested all the tutorial datasets on my local installation, and they all ran smoothly. However, I’m still unable to process my collected data. Interestingly, the scientist at the Australian Synchrotron was able to process them without issues. I even tried using the same parameters they used, but I keep failing to generate a profile plot. When I uploaded their .dat output, I was unable to generate the P(r). Additionally, I encountered several error messages, including the one I’ve attached.

Do you have any other suggestions I could try?

Thanks again for your help.

Best regards,

Ruby