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chore: add measured and calculated data for DiffractionObjects example? · Issue #345 · diffpy/diffpy.utils · GitHub

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chore: add measured and calculated data for DiffractionObjects example? #345

Closed

Description

Problem

The DiffractionObjects example doesn't have any data associated with it so you can't run the example past this point (which is very early in the example) because xcalc, ycalc, xmeas, ymeas are not defined.

calculated = DiffractionObject(xcalc, ycalc, "d")
measured = DiffractionObject(xmeas, ymeas, "tth", wavelength=0.717)
plt.plot(calculated.on_q()[0], calculated.on_q()[1])
plt.plot(measured.on_q()[0], measured.on_q()[1])
plt.show()

solution

Find and add some data!

Activity

  1. sbillinge commented on Jun 12, 2025

    Contributor

    does the data in \diffpy.utils\doc\source\examples\example_data\ not work? This is hard to find and probably not described in the docs well enough, but if it works we can use it.

  2. cadenmyers13 commented on Jun 12, 2025

    ContributorAuthor

    @sbillinge not for the DiffractionObjects example. that one is missing data.

  3. sbillinge commented on Jun 12, 2025

    Contributor

    @sbillinge not for the DiffractionObjects example. that one is missing data.

    but my question was that none of those example datasets will work? Not if they are all gr. In any case we just need some iq file from some project. Please do what you can!

  4. added this to the 3.7.0 release milestone on Jun 27, 2025
  5. stevenhua0320 commented on Nov 26, 2025

    Contributor

    @cadenmyers13 I have found what you said in the rst file, but I'm unsure what we need to do at this stage. Should we find the relevant data to fill it in to the place of the parameter to make it work?

  6. sbillinge commented on Nov 26, 2025

    Contributor

    @cadenmyers13 pls can you work with @stevenhua0320 to get this closed?

  7. cadenmyers13 commented on Nov 26, 2025

    ContributorAuthor

    @sbillinge No problem. @stevenhua0320 I just sent you over slack 2 CeO2 files. one is .chi and one is .fq. Im not sure which one fits this example better here (my guess is .chi). you should be able to add that to this example

  8. stevenhua0320 commented on Nov 26, 2025

    Contributor

    @sbillinge No problem. @stevenhua0320 I just sent you over slack 2 CeO2 files. one is .chi and one is .fq. Im not sure which one fits this example better here (my guess is .chi). you should be able to add that to this example

    Could you send it again on Slack as seems I did not receive it

  9. cadenmyers13 commented on Dec 12, 2025

    ContributorAuthor

    closed via #365

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