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@SimonHeybrock SimonHeybrock commented Jun 4, 2025

This is incomplete since I do not have access to a file with a sample. Just for reference.

Needs scipp/esssans#214 (branch isis-histogram-files) if you want to run the Zoom notebook (not on CI, since it needs Mantid an non-public files).

The notebook is work-in-progress (see many to-dos, which will not be resolved in this PR, I think), but other changes should be reviewable.

Comment on lines 108 to 109
"# TODO Figure out the filetypes we have as inputs. Can we not use the workflow\n",
"# from ESSsans? If the problem is histogrammed files, can we add support there?\n",
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Note this. Why are the polarized files different from what we use in ESSsans?

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Some test files are on Water:

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Sorry, the file is too big...Simon, can you upload the ones I have sent in slack?

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Note this. Why are the polarized files different from what we use in ESSsans?

Different monitors might have been for background measurements. Also, it is saved with four different spin channels, like the 3He measurements, with 4 periods

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We need to speak of how to do that for the files at ESS, I think we had a previous post on that. I remeber "File storage and data handling #43"

@SimonHeybrock SimonHeybrock force-pushed the zoom-sample-workflow branch from aec5f26 to 8d74542 Compare June 6, 2025 08:41
@SimonHeybrock SimonHeybrock marked this pull request as ready for review June 6, 2025 08:43
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The workflow itself works, but I have tested it for the incoming unpolarized state, so the notebook has to be changed a bit (using incomping_polarized=False). Could we upload two different zoom.ipynb files, one for "incoming_polarized" and one for "incoming_unpolarized" (I think I left this comment below also)? If that is ok with you I can save the two notebooks and try to push it in github, but I remember that last time I wanted to push this kind of additional fileupload, you anyhow had to do it yourself - should I upload instead the two notebooks in the polarization channel? I really would like to have two different notebooks for the tests, so that I dont get confused when I try loading the sample data for the next tests.

"id": "32",
"metadata": {},
"source": [
"The sample runs are event data, so we can simply merge all runs to obtain a single event-mode $I(Q)$.\n",
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Johannes and me checked that sans.with_sample_runs is based on WavelengthScaledQ and I can therefore not use it for the computation of IofQxy (instead of IofQ), as for that WavelengthScaledQxy would be needed. Can that be inserted?

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I opened scipp/esssans#220 so this can be addressed.

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astellhorn commented Jul 3, 2025

Another change for the notebook: for cell 12 computing

wav_min = 1.75 * sc.Unit('angstrom')
wav_max = 16.5 * sc.Unit('angstrom')
transmission_truncated = raw_transmission['wavelength', wav_min:wav_max]
transmission_depolarized = transmission_truncated['time', -1].copy()
transmission = transmission_truncated['time', :-1].copy()

--> I didnt leave this comment in the review as it was nothing that changed in this branch compared to before, but I now have used wav_min=1.75 and wav_max= 16.5.
It gives better results for the 3He cell that we are using now.

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@astellhorn Sorry I have not had time to look into your answers as there is some ongoing prep work for ICNS on Thursday. Will be on summer holiday soon after for 3 weeks. Do you depend on updates here before August?

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@astellhorn Sorry I have not had time to look into your answers as there is some ongoing prep work for ICNS on Thursday. Will be on summer holiday soon after for 3 weeks. Do you depend on updates here before August?

I think we can catch up in August for this! Have a nice holidays

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@astellhorn I think I addressed everything I can now. If you want to try it out again, you need scipp/esssans#221. There are more TODOs left, but maybe we can just get this merged in and address the rest in a follow-up, since there are too many discussion threads here already.

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I will merge this, remaining changes will be addressed on follow-ups.

@SimonHeybrock SimonHeybrock merged commit ab7f253 into main Sep 25, 2025
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@SimonHeybrock SimonHeybrock deleted the zoom-sample-workflow branch September 25, 2025 09:49
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4 participants