unexplained_peaks — DRIVE `pxrd` op

• Data kinds: table → table

• Call: import fullseye as fs; fs.ledger.unexplained_peaks(fit_result, intensity=None, min_snr=6.0, index=True, noise=None, known_ratio=0.25, model_error=0.1) (to call the implementation directly, import pxrd; pxrd.unexplained_peaks(fit_result, intensity=None, min_snr=6.0, index=True, noise=None, known_ratio=0.25, model_error=0.1); from the registry, opsdrive.get("unexplained_peaks"))

Usage

Extracts, from the residual of the phase-fraction fit, the peaks that no phase in the dictionary can explain (clues to an unknown phase).

> The detailed description below is the original text — the summary and the headings are translated.

残差(fit_result の residual、または intensity − fit)に diffraction_peaks をかけ、正の山だけを残す。既知相の強い線の上に乗った残差の山(高さが、その位置の既知相の模型の known_ratio 倍未満)は幅や形の合わなさの名残りである見込みが高いので near_known=True の印を付け、指数付けからは外す(消さずに返す)。残りが 3 本以上あれば cubic_index で立方晶として指数付けを試みる(index=True、外れ 1/3 まで許す)。既知相の格子がずれていると残差に「正と負の対」が出て偽の山になる —— その場合は phase_fractions の lattice_tolerance を先に使う。noise には azimuthal_integrate の sigma を渡すのが筋(無ければ残差の MAD から見積もる)。山の判定に使う雑音は sqrt(noise² + (model_error × 既知相の模型)²) —— 計数が多いと Poisson の σ は小さく、強い既知線の形のわずかな合わなさ(画素の箱形の広がりをガウスで近似した名残り。合成像で rwp 2〜4 %)が何千 σ の「山」に見えるので、模型そのものの相対誤差を雑音の床に入れる。

返り値(dict): two_theta・d [Å]・height・fwhm・snr・near_known(bool)・index (cubic_index の結果か None)。

Raises ValueError: fit_result が phase_fractions の形でない、長さの不一致。

References (sample data, literature)

• 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.

Runnable examples (verified samples that actually call this op)

• poc_pxrd_phase_peel — py -3.11 examples/poc_pxrd_phase_peel.py

Ops the type connects to (they accept `table` as input)

course_layout · course_occupancy · course_contains · world_build · world_camera · world_move · lidar_scan · rss_longitudinal_same

Same category (`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).*

unexplained_peaks — DRIVE pxrd op