Add 4dstem/ta_amorphous_sim: simulated amorphous Ta 4D-STEM scan for the ShowPDF tutorial

#5
by ehrdt - opened

Adds 4dstem/ta_amorphous_sim/, a simulated 4D-STEM scan of amorphous Ta for the ShowPDF tutorial in quantem.widget (pull request to follow).

  • data.npy: float32, (20, 20, 307, 307); detector sampling 0.01488 1/Å per pixel (k = 1/d).
  • ground_truth_gr.npz: g(r) of the atomic model (r in Å, 400 points up to 19.95 Å, and gr).
  • meta.json: sample, calibration, source, permission and checksums.

Source: the model coordinates were created by Jun Ding and Mark Asta (J. Ding, M. Asta and R. O. Ritchie, PNAS 114, 8458-8463 (2017), https://doi.org/10.1073/pnas.1705723114). The simulated 4D-STEM dataset was prepared by Stephanie Ribet, who gave permission to publish it here.

scripts/check_dataset_metadata.py reports only missing date and missing permission.date. Neither the simulation date nor the date of the permission is recorded, so both are left empty rather than guessed. The beam energy, convergence angle and scan step are not recorded either.

No thumbnail is included; .thumbnails/ is an owner step.

ehrdt changed pull request status to open

@bobleesj This adds the data for the ShowPDF tutorial in quantem.widget; the widget PR will link here.

bobleesj changed pull request status to merged

merged. Thanks

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