Add simple POWGEN workflow #113
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| positions=positions, | ||
| components=components, | ||
| pixel_size=pixel_size, |
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Why did you list these 3 arguments explicitly? They seem to just be forwarded to the scippneutron instrument_view.
Can they just be part of the kwargs?
Is it because you wanted to have the type-hints? I see they are missing from the scippneutron instrument_view. Maybe we should add them there instead?
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These are the explicit arguments of instrument_view. Listing them explicitly means that they can be found by help(powgen.instrument_view), autocompletion, etc.
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I disabled the failing tests because this is a bug in Mantid. See mantidproject/mantid#33690 |
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I disabled handling of the empty instrument data because I can't seem to get it to work with normalisation by proton charge. See the long comment in |
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@jl-wynen With the set of POWGEN data files we are using, I think the option you chose after normalisation by proton charge is fine. |
| "id": "df5f7a70-ac69-47dc-b0c1-1139728d2878", | ||
| "metadata": {}, | ||
| "source": [ | ||
| "### Focus into $2\\theta$ bins" |
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We renamed 'focus' to 'group' in the python function. Should we also remove the term Focus here?
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Removed all mentions of 'focus'
| " start=25.0,\n", | ||
| " stop=90.0,\n", | ||
| " num=16)\n", | ||
| "sample_focussed = diffraction.group_by_two_theta(sample_dspacing,\n", |
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| "sample_focussed = diffraction.group_by_two_theta(sample_dspacing,\n", | |
| "sample_grouped = diffraction.group_by_two_theta(sample_dspacing,\n", |
| " num=16)\n", | ||
| "sample_focussed = diffraction.group_by_two_theta(sample_dspacing,\n", | ||
| " edges=two_theta)\n", | ||
| "vana_focussed = diffraction.group_by_two_theta(vana_dspacing, edges=two_theta)" |
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| "vana_focussed = diffraction.group_by_two_theta(vana_dspacing, edges=two_theta)" | |
| "vana_grouped = diffraction.group_by_two_theta(vana_dspacing, edges=two_theta)" |
| }, | ||
| "outputs": [], | ||
| "source": [ | ||
| "sc.histogram(all_spectra, bins=dspacing_edges).plot()" |
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Why the strange unit on the y axis?
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Don't know. Must be some strange scaling in the unit from dividing them for normalisation.
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The sample and vanadium have different units for the proton charge. When dividing them, we get the 2.7e-10 scale in the plot. I changed normalize_by_vanadium to convert to unit='one' to eliminate the scale.
| "id": "fb474efb-692f-4f2d-9243-23ff9319dd76", | ||
| "metadata": {}, | ||
| "source": [ | ||
| "For a better resolution, we now group ('focus') the sample and vanadium data into a number of bins in the scattering angle [$2\\theta$](https://scipp.github.io/scippneutron/user-guide/coordinate-transformations.html)\n", |
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Something seems to go wrong in sphinx with the rendering of math in a link?
Co-authored-by: Neil Vaytet <[email protected]>
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