pxrd op• Data kinds: any × signal × scalar → table
• Call: import fullseye as fs; fs.ledger.phase_dictionary(phases, two_theta, wavelength, size=inf, K=0.9, instrumental_fwhm=0.02, lorentz='powder', eta=0.0) (to call the implementation directly, import pxrd; pxrd.phase_dictionary(phases, two_theta, wavelength, size=inf, K=0.9, instrumental_fwhm=0.02, lorentz='powder', eta=0.0); from the registry, opsdrive.get("phase_dictionary"))
Dictionary of phase reference patterns: on a 2θ grid, the 1-D intensity per volume fraction of 1 is arranged for each phase.
1 row = (1/V²) Σ m|F|² L(2θ) × 形 (the shape is a pseudo-Voigt whose width is the Gaussian sum of the Scherrer size [Å] and the instrument FWHM; eta is the Lorentz fraction). instrumental_fwhm is a number [deg] or a table (2θ の列, FWHM の列) —— on a flat detector the angle subtended by a pixel shrinks as cos² 2θ, so the instrumental width changes with 2θ. The proper approach is to integrate an image of a standard without broadening (Si) in the same geometry and pass the FWHM from diffraction_peaks as the table (the PoC procedure). This matches the same quantity as a profile from azimuthal_integrate run with polarisation and solid-angle corrections. If the width does not match, the NNLS scale factors are biased —— the proper approach is to estimate size first with the FWHM from diffraction_peaks and scherrer_size.
Return value (dict): names, two_theta, matrix ((P, n)), density [g/cm³], phases (the original phases, for redrawing during lattice refinement), params (wavelength, width, Lorentz).
Raises ValueError: phases empty or not in phase form, duplicate names, lattice does not increase, invalid width values.
• Sample-data catalog (download URLs / licences) — 2-D uses skimage.data (BSD/public domain) plus synthetic images; 3-D lists download URLs for real data sources (Stanford, PDS, …).
• Operator provenance and references — the sources of the research/methods this op family came from.
• The canonical algorithm (author, year) and its uses are named in the family usage guide above.
• poc_pxrd_phase_peel — py -3.11 examples/poc_pxrd_phase_peel.py
table as input)course_layout · course_occupancy · course_contains · world_build · world_camera · world_move · lidar_scan · rss_longitudinal_same
pxrd)cif_read · cubic_prototype · powder_reflections · scherrer_size · debye_ring_image · detector_two_theta · detector_calibrate · azimuthal_integrate
*Provenance: pxrd.py — DRIVE operator registry. This per-op note is generated by tools/opdocs.py md (do not hand-edit).*
© 2026 Kazufumi Furuse — Fullseye operator documentation. Licensed under Apache-2.0.