CITATION.cff

# 260811Cl 新規作成 (⑭ 公開基盤)。GitHub の "Cite this repository" がこれを読む。
# ⚠ version / date-released は**意図的に書いていない**。版番号は release ワークフローが
#   Version.cs から注入していて、ここに書くと必ず陳腐化するため。版を固定して引きたい場合は
#   Releases のタグを添える。引用そのものは preferred-citation の論文で足りる (作者判断 2026-08-11)。
cff-version: 1.2.0
title: "ReciPro: multipurpose crystallographic software"
message: "If you use this software, please cite the article under preferred-citation. If you use the STEM-EDX or ALCHEMI results, also cite the ionization dataset listed under references — it is CC BY 4.0 and is not covered by this repository's MIT licence."
type: software
authors:
  # ソフトウェアの作者。論文の共著者 M. Ohtsuka は preferred-citation 側に入れてある
  # (コードの作者と論文の著者は別の集合なので分けて書く)。
  - family-names: Seto
    given-names: Yusuke
    email: seto77@gmail.com
    affiliation: "Osaka Metropolitan University"
repository-code: "https://github.com/seto77/ReciPro"
url: "https://seto77.github.io/ReciPro/"
license: MIT
license-url: "https://github.com/seto77/ReciPro/blob/master/LICENSE.md"
keywords:
  - crystallography
  - electron microscopy
  - electron diffraction
  - dynamical diffraction
  - Bloch wave
  - HRTEM
  - STEM
  - STEM-EDX
  - ALCHEMI
  - EBSD
  - crystal structure viewer
abstract: >-
  ReciPro is a free and open-source GUI application for crystallography and
  transmission electron microscopy. It explores crystal databases, visualizes
  crystal structures and goniometer settings, simulates diffraction patterns
  (kinematical and dynamical, by the Bloch-wave method) and high-resolution
  microscope images, and analyses diffraction data, with the windows linked so
  that results update together in near real time. Recent additions include
  STEM-EDX elemental maps computed from inner-shell ionization form factors and
  an ALCHEMI simulator for site-resolved ionization rocking curves.
preferred-citation:
  type: article
  title: >-
    ReciPro: free and open-source multipurpose crystallographic software
    integrating a crystal model database and viewer, diffraction and microscopy
    simulators, and diffraction data analysis tools
  authors:
    - family-names: Seto
      given-names: Yusuke
    - family-names: Ohtsuka
      given-names: Masahiro
  journal: "Journal of Applied Crystallography"
  volume: 55
  start: 397
  end: 410
  year: 2022
  doi: "10.1107/S1600576722000139"
references:
  # ⚠ CFF 1.2.0 の reference type に "dataset" は無い。正しくは "data"
  #   (schema.json の enum で確認)。"dataset" と書くとファイル全体が schema 検証を通らず、
  #   GitHub の "Cite this repository" が出なくなる。
  - type: data
    title: >-
      Inner-shell ionization form factors F(s, E0) for STEM-EDX: 525 channels
      (K, L1-L3, M1-M5) computed with Temari
    authors:
      - family-names: Seto
        given-names: Yusuke
    version: "5.0.0"
    year: 2026
    doi: "10.5281/zenodo.21872050"
    license: CC-BY-4.0
    notes: >-
      Bundled as the binary resource Crystallography.IonizationFsE0.bin and used
      by the STEM-EDX and ALCHEMI paths. Distributed by its author under
      CC BY 4.0, separately from this software (MIT); ReciPro ships a repacked
      form (1e-6 quantization, no value recomputed). Cite this version DOI if
      you use the numbers. The version-independent DOI 10.5281/zenodo.21872049
      resolves to the latest version instead. Full attribution:
      THIRD-PARTY-NOTICES.md.
  # ⚠ 260811Cl: 巻号と DOI は IUCr/Elsevier の書誌で照合済み。
  #   ADNDT **95** (2009) 871–909 / doi 10.1016/j.adt.2009.08.001 が正しい。
  #   "96" や doi 10.1016/j.adt.2010.06.001 は**別論文 (バリウム同位体の発見)** を指すので使わない。
  - type: article
    title: >-
      Cross sections for ionization of K, L and M shells of atoms by impact of
      electrons and positrons with energies up to 1 GeV: Analytical formulas
    authors:
      - family-names: Bote
        given-names: David
      - family-names: Salvat
        given-names: Francesc
      - family-names: Jablonski
        given-names: Aleksander
      - family-names: Powell
        given-names: Cedric J.
    journal: "Atomic Data and Nuclear Data Tables"
    volume: 95
    start: 871
    end: 909
    year: 2009
    doi: "10.1016/j.adt.2009.08.001"
    notes: >-
      Source of the bundled absolute ionization cross-section parameterization
      (Crystallography.BoteSalvat.bin; coefficients are public domain). See also
      the Erratum, At. Data Nucl. Data Tables 97, 186 (2011), and the
      distorted-wave calculations it was fitted to: D. Bote & F. Salvat,
      Phys. Rev. A 77, 042701 (2008), doi:10.1103/PhysRevA.77.042701.
  - type: article
    title: "The American Mineralogist Crystal Structure Database"
    authors:
      - family-names: Downs
        given-names: Robert T.
      - family-names: Hall-Wallace
        given-names: Michelle
    journal: "American Mineralogist"
    volume: 88
    start: 247
    end: 250
    year: 2003
    notes: >-
      Cite when using the bundled AMCSD crystal database (AMCSD.cdb3).
  - type: article
    title: >-
      Crystallography Open Database - an open-access collection of crystal
      structures
    authors:
      - family-names: Gražulis
        given-names: Saulius
      - family-names: Chateigner
        given-names: Daniel
      - family-names: Downs
        given-names: Robert T.
      - family-names: Yokochi
        given-names: Alexandre F. T.
      - family-names: Quirós
        given-names: Miguel
      - family-names: Lutterotti
        given-names: Luca
      - family-names: Manakova
        given-names: Elena
      - family-names: Butkus
        given-names: Justas
      - family-names: Moeck
        given-names: Peter
      - family-names: Le Bail
        given-names: Armel
    journal: "Journal of Applied Crystallography"
    volume: 42
    start: 726
    end: 729
    year: 2009
    doi: "10.1107/S0021889809016690"
    notes: >-
      Cite when using the COD crystal database, which ReciPro downloads on first
      use rather than bundling. COD asks that further papers be cited as well -
      see https://www.crystallography.net/cod/citing.html .
  - type: article
    title: >-
      The xraylib library for X-ray-matter interactions. Recent developments
    authors:
      - family-names: Schoonjans
        given-names: Tom
      - family-names: Brunetti
        given-names: Antonio
      - family-names: Golosio
        given-names: Bruno
      - family-names: Sanchez del Rio
        given-names: Manuel
      - family-names: Solé
        given-names: Vicente Armando
      - family-names: Ferrero
        given-names: Claudio
      - family-names: Vincze
        given-names: Laszlo
    journal: "Spectrochimica Acta Part B: Atomic Spectroscopy"
    volume: 66
    start: 776
    end: 784
    year: 2011
    doi: "10.1016/j.sab.2011.09.011"
    notes: >-
      Recommended citation for the bundled xraylib native library
      (BSD-3-Clause), which supplies the X-ray reference data shown in the Beam
      Interaction window.