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Add ACOM and diffraction simulation tutorials - #16
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acom_01: orientation, phase and strain mapping of a two-phase titanium alloy (MacLaren et al., J. Microsc. 295, 131, 2024). The first run downloads the 313 MB dataset from Google Drive into data/. acom_02: kinematical and Bloch-wave dynamical diffraction of Si and Ti: excitation error models, thickness and tilt series, CBED, LACBED and Kossel patterns. Both executed against quantem 0.1.10. Replaces the empty placeholder. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
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Adds the first two notebooks to
tutorials/diffraction/, replacing the empty placeholder.acom_01_orientation_phase_strain_Ti.ipynb: orientation, phase, and strain mapping of a two-phase alpha-beta titanium alloy. The steps are Bragg disk detection, descan correction, calibration withcalibrate_2d, matching and refinement of both phases withCrystalMap, phase maps, inverse pole figure maps, pole figures, and projected strain. The scanning precession electron diffraction data are from MacLaren et al., J. Microsc. 295, 131 (2024). The first run downloads the 313 MB dataset from Google Drive intodata/, which.gitignorealready covers.acom_02_diffraction_simulation.ipynb: kinematical patterns of Si and alpha Ti with three excitation error models, then Bloch wave dynamical patterns, thickness and tilt series, CBED, LACBED, and Kossel patterns.Both notebooks need quantem 0.1.10 or later (ACOM and
blochcame in with electronmicroscopy/quantem#297). Both were executed against the v0.1.10 tag with outputs kept. Results match the original runs: pixel size 0.038418 1/Å/px, and phase fractions of 0.487 alpha and 0.507 beta.The quantem-docs diffraction pages (disk detection, calibration, orientation mapping, diffraction simulation) link to these notebooks at their
mainpaths.🤖 Generated with Claude Code