---
_id: '23599'
abstract:
- lang: eng
  text: '<jats:p>Grazing-incidence wide-angle X-ray scattering (GIWAXS) has become
    an increasingly popular technique for quantitative structural characterization
    and comparison of thin films. For this purpose, accurate intensity normalization
    and peak position determination are crucial. At present, few tools exist to estimate
    the uncertainties of these measurements. Here, a simulation package is introduced
    called <jats:italic>GIWAXS-SIIRkit</jats:italic>, where SIIR stands for scattering
    intensity, indexing and refraction. The package contains several tools that are
    freely available for download and can be executed in MATLAB. The package includes
    three functionalities: estimation of the relative scattering intensity and the
    corresponding uncertainty based on experimental setup and sample dimensions; extraction
    and indexing of peak positions to approximate the crystal structure of organic
    materials starting from calibrated GIWAXS patterns; and analysis of the effects
    of refraction on peak positions. Each tool is based on a graphical user interface
    and designed to have a short learning curve. A user guide is provided with detailed
    usage instruction, tips for adding functionality and customization, and exemplary
    files.</jats:p>'
author:
- first_name: Victoria
  full_name: Savikhin, Victoria
  last_name: Savikhin
- first_name: Hans-Georg
  full_name: Steinrück, Hans-Georg
  id: '84268'
  last_name: Steinrück
  orcid: 0000-0001-6373-0877
- first_name: Ru-Ze
  full_name: Liang, Ru-Ze
  last_name: Liang
- first_name: Brian A.
  full_name: Collins, Brian A.
  last_name: Collins
- first_name: Stefan D.
  full_name: Oosterhout, Stefan D.
  last_name: Oosterhout
- first_name: Pierre M.
  full_name: Beaujuge, Pierre M.
  last_name: Beaujuge
- first_name: Michael F.
  full_name: Toney, Michael F.
  last_name: Toney
citation:
  ama: 'Savikhin V, Steinrück H-G, Liang R-Z, et al. GIWAXS-SIIRkit: scattering intensity,
    indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray
    scattering of organic materials. <i>Journal of Applied Crystallography</i>. 2020;53:1108-1129.
    doi:<a href="https://doi.org/10.1107/s1600576720005476">10.1107/s1600576720005476</a>'
  apa: 'Savikhin, V., Steinrück, H.-G., Liang, R.-Z., Collins, B. A., Oosterhout,
    S. D., Beaujuge, P. M., &#38; Toney, M. F. (2020). GIWAXS-SIIRkit: scattering
    intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle
    X-ray scattering of organic materials. <i>Journal of Applied Crystallography</i>,
    <i>53</i>, 1108–1129. <a href="https://doi.org/10.1107/s1600576720005476">https://doi.org/10.1107/s1600576720005476</a>'
  bibtex: '@article{Savikhin_Steinrück_Liang_Collins_Oosterhout_Beaujuge_Toney_2020,
    title={GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation
    toolkit for grazing-incidence wide-angle X-ray scattering of organic materials},
    volume={53}, DOI={<a href="https://doi.org/10.1107/s1600576720005476">10.1107/s1600576720005476</a>},
    journal={Journal of Applied Crystallography}, author={Savikhin, Victoria and Steinrück,
    Hans-Georg and Liang, Ru-Ze and Collins, Brian A. and Oosterhout, Stefan D. and
    Beaujuge, Pierre M. and Toney, Michael F.}, year={2020}, pages={1108–1129} }'
  chicago: 'Savikhin, Victoria, Hans-Georg Steinrück, Ru-Ze Liang, Brian A. Collins,
    Stefan D. Oosterhout, Pierre M. Beaujuge, and Michael F. Toney. “GIWAXS-SIIRkit:
    Scattering Intensity, Indexing and Refraction Calculation Toolkit for Grazing-Incidence
    Wide-Angle X-Ray Scattering of Organic Materials.” <i>Journal of Applied Crystallography</i>
    53 (2020): 1108–29. <a href="https://doi.org/10.1107/s1600576720005476">https://doi.org/10.1107/s1600576720005476</a>.'
  ieee: 'V. Savikhin <i>et al.</i>, “GIWAXS-SIIRkit: scattering intensity, indexing
    and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering
    of organic materials,” <i>Journal of Applied Crystallography</i>, vol. 53, pp.
    1108–1129, 2020, doi: <a href="https://doi.org/10.1107/s1600576720005476">10.1107/s1600576720005476</a>.'
  mla: 'Savikhin, Victoria, et al. “GIWAXS-SIIRkit: Scattering Intensity, Indexing
    and Refraction Calculation Toolkit for Grazing-Incidence Wide-Angle X-Ray Scattering
    of Organic Materials.” <i>Journal of Applied Crystallography</i>, vol. 53, 2020,
    pp. 1108–29, doi:<a href="https://doi.org/10.1107/s1600576720005476">10.1107/s1600576720005476</a>.'
  short: V. Savikhin, H.-G. Steinrück, R.-Z. Liang, B.A. Collins, S.D. Oosterhout,
    P.M. Beaujuge, M.F. Toney, Journal of Applied Crystallography 53 (2020) 1108–1129.
date_created: 2021-09-01T09:07:00Z
date_updated: 2022-01-06T06:55:57Z
department:
- _id: '633'
doi: 10.1107/s1600576720005476
intvolume: '        53'
language:
- iso: eng
page: 1108-1129
publication: Journal of Applied Crystallography
publication_identifier:
  issn:
  - 1600-5767
publication_status: published
status: public
title: 'GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation
  toolkit for grazing-incidence wide-angle X-ray scattering of organic materials'
type: journal_article
user_id: '84268'
volume: 53
year: '2020'
...