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arxiv: 2606.25414 · v1 · pith:3MUFKZP4new · submitted 2026-06-24 · ⚛️ physics.ins-det

NeuXtalViz: Interactive Three-Dimensional Visualization and Analysis for Single-Crystal Neutron Diffraction

Zachary Morgan , Zhongcan Xiao , Sylwia Pawledzio , Iris Ye , Kathleen Loughlin , Shiyun Jin , Vickie Lynch , Thomas Proffen
show 2 more authors
Christina Hoffmann Xiaoping Wang
This is my paper

Pith reviewed 2026-06-25 20:17 UTC · model grok-4.3

classification ⚛️ physics.ins-det
keywords single-crystal neutron diffractionthree-dimensional visualizationsoftware packageMantid frameworkreciprocal spaceUB matrixPython Qt interfacedata analysis workflow
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The pith

NeuXtalViz supplies a single Python interface that places interactive 3D visualization inside the full cycle of single-crystal neutron diffraction work.

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

The paper introduces NeuXtalViz as a software package that brings interactive three-dimensional visualization and analysis tools directly into the planning, execution, and analysis steps of single-crystal neutron diffraction experiments. It achieves this by combining the Mantid framework for data reduction with PyVista and Matplotlib inside a Qt-based Python environment that follows a model-view-presenter design. The resulting interface supports UB-matrix determination, experiment planning, viewing of normalized reciprocal-space volumes, and real-space crystal-structure calculations while connecting to other community tools. The authors report that the package has been placed on instrument and analysis servers and is already seeing use by instrument teams.

Core claim

NeuXtalViz is a Python-based package that supplies interactive three-dimensional visualization and analysis for single-crystal neutron diffraction experiments. It rests on the Mantid framework for data reduction and uses PyVista and Matplotlib inside a Python Qt environment through a model-view-presenter architecture that keeps the user interface separate from the processing core. The package supplies one interface for UB-matrix determination, experiment planning, visualization of normalized reciprocal-space volumes, and real-space crystal-structure calculations, integrates with existing community tools, and has been installed on instrument servers where instrument teams and users are adopti

What carries the argument

The model-view-presenter architecture that separates the user interface from the core processing components while linking Mantid data reduction, PyVista rendering, and Qt display.

If this is right

  • UB-matrix determination, experiment planning, reciprocal-space volume inspection, and structure calculations occur inside one application.
  • Normalized reciprocal-space volumes can be examined interactively without leaving the main workflow.
  • Deployment on shared servers allows instrument teams to use the same visualization environment for multiple experiments.
  • The design supplies a base that can accept additional features and links to other tools over time.

Where Pith is reading between the lines

These are editorial extensions of the paper, not claims the author makes directly.

  • The same separation of interface and processing could support visualization layers for related scattering techniques that already use Mantid-style reduction.
  • Once the interface is in place, automated peak-finding or orientation routines could be added as plug-in components without rewriting the display layer.
  • Widespread server deployment across facilities would create a common visual language for reciprocal-space inspection that travels with the data files.

Load-bearing premise

The chosen libraries and architecture will produce an interface that instrument teams and users will adopt and find effective in their daily work.

What would settle it

Usage logs or surveys after server deployment showing that most teams continue to rely on separate existing tools rather than NeuXtalViz.

Figures

Figures reproduced from arXiv: 2606.25414 by Christina Hoffmann, Iris Ye, Kathleen Loughlin, Shiyun Jin, Sylwia Pawledzio, Thomas Proffen, Vickie Lynch, Xiaoping Wang, Zachary Morgan, Zhongcan Xiao.

Figure 1
Figure 1. Figure 1: Overview of the model-view-presenter architecture and the corresponding [PITH_FULL_IMAGE:figures/full_fig_p005_1.png] view at source ↗
Figure 2
Figure 2. Figure 2: Schematic illustrating the key interactions involved in [PITH_FULL_IMAGE:figures/full_fig_p008_2.png] view at source ↗
Figure 3
Figure 3. Figure 3: UB determination in NeuXtalViz. Selected screenshots illustrating three strate￾gies for Laue diffraction data: (a) TOPAZ scolecite data, (b) MANDI mesolite data, and (c) CORELLI natrolite data. In (a), strong reflections are harvested from reciprocal-space volumes to determine an initial primitive (Niggli-reduced) unit cell, which is subsequently transformed to the conventional base-centered monoclinic set… view at source ↗
Figure 4
Figure 4. Figure 4: Modulation analysis tools in NeuXtalViz. Satellite reflections are folded into a reciprocal-lattice extended 2 × 2 × 2 cell containing the first Brillouin zone. Reflec￾tion clusters are identified using DBSCAN, with user-defined parameters for the minimum neighbor distance in reciprocal lattice units and the minimum number of peaks required to define a cluster. The centroid of each cluster is reported in a… view at source ↗
Figure 5
Figure 5. Figure 5: Experiment planning in NeuXtalViz for silicon at TOPAZ. (a) Coverage cal￾culation after adding a selected sample orientation to the experiment plan. The 3D view shows predicted peaks to a specified resolution cutoff, symmetrized using the cubic m¯3m point group. Overall and resolution-shell completeness, redundancy, and the number of unique reflections are calculated and plotted with and without symmetry. … view at source ↗
Figure 6
Figure 6. Figure 6: Volume slicer in NeuXtalViz. A normalized reciprocal-space volume of silicon measured on TOPAZ is shown, highlighting thermal diffuse scattering around Bragg peaks. The displayed slice corresponds to the (hk2) scattering plane. Interactive controls are provided for integrating slices, adjusting color scales, and zooming within the volume. 4.3. Reciprocal Space Volume Slicer One of the key capabilities of m… view at source ↗
Figure 7
Figure 7. Figure 7: Crystal structure factor calculator in NeuXtalViz. The refined structure of the mineral bixbyite, including site mixing between iron and manganese, is shown. Squared structure-factor amplitudes are calculated and displayed in tabular form. IUCr macros version 2.1.15: 2021/03/05 [PITH_FULL_IMAGE:figures/full_fig_p023_7.png] view at source ↗
Figure 8
Figure 8. Figure 8: Experiment browser in NeuXtalViz. Metadata for a selected experiment (rare￾earth garnet collected at TOPAZ) is queried using ORNL Neutron Catalog (ONCat) services (Parker & Ren, 2018) and summarized by run title, providing an organized overview of the associated measurement runs. Finally, interfaces are provided to two complementary data-reduction tools. The first is a dedicated graphical interface for TOP… view at source ↗
read the original abstract

NeuXtalViz (Neutron Single-Crystal Visualization) is a Python-based software package developed at Oak Ridge National Laboratory to provide interactive three-dimensional visualization and analysis tools for single-crystal neutron diffraction experiments. Built on the Mantid framework for data reduction, and leveraging PyVista and Matplotlib within a Python Qt environment, NeuXtalViz adopts a model-view-presenter architecture that separates the user interface from the core processing components. The software provides a unified interface for tasks central to single-crystal diffraction, including UB-matrix determination, experiment planning, visualization of normalized reciprocal-space volumes, and real-space crystal-structure calculations. It also integrates with widely used community tools and has been deployed on instrument and analysis servers, where it is now being adopted by instrument teams and users. By embedding advanced three-dimensional visualization directly into the experimental workflow, NeuXtalViz enhances the planning, execution, and analysis cycle for single-crystal neutron diffraction experiments, while providing a flexible framework for future development.

Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, simulated authors' rebuttal, and a circularity audit. Tearing a paper down is the easy half of reading it; the pith above is the substance, this is the friction.

Referee Report

2 major / 1 minor

Summary. The manuscript introduces NeuXtalViz, a Python-based tool for interactive 3D visualization and analysis of single-crystal neutron diffraction data. Built on Mantid for data reduction, PyVista and Matplotlib for visualization, and Qt for the interface under a model-view-presenter architecture, it provides unified capabilities for UB-matrix determination, experiment planning, normalized reciprocal-space volume visualization, real-space structure calculations, and integration with community tools. The paper reports deployment on instrument and analysis servers with adoption by teams and users, and asserts that embedding 3D visualization enhances the planning, execution, and analysis cycle while offering a flexible framework for future development.

Significance. If the usability and workflow claims are substantiated, NeuXtalViz could provide a practical, integrated environment that reduces context-switching between reduction, visualization, and planning steps in neutron single-crystal work. The explicit use of the established Mantid framework and open deployment on shared servers are concrete strengths that support reproducibility and community uptake. The MVP separation also positions the package well for incremental extension.

major comments (2)
  1. [Abstract] Abstract: The central claim that 'By embedding advanced three-dimensional visualization directly into the experimental workflow, NeuXtalViz enhances the planning, execution, and analysis cycle' is load-bearing yet unsupported; the manuscript supplies no timing benchmarks, error-rate comparisons, throughput metrics, before/after case studies, or user-study results to demonstrate actual improvement over existing workflows or tools.
  2. [Deployment section] Deployment and adoption description: The statement that the software 'is now being adopted by instrument teams and users' is presented without quantitative indicators (e.g., number of users, session logs, or feedback summaries), leaving the adoption claim unverified and weakening the assertion of workflow enhancement.
minor comments (1)
  1. Ensure that all feature descriptions include explicit cross-references to the corresponding code modules or configuration files so readers can locate the implementation of each described capability.

Simulated Author's Rebuttal

2 responses · 0 unresolved

We thank the referee for the detailed and constructive review. We address the two major comments below and will revise the manuscript accordingly to ensure claims are appropriately supported by the presented material.

read point-by-point responses

  1. Referee: [Abstract] Abstract: The central claim that 'By embedding advanced three-dimensional visualization directly into the experimental workflow, NeuXtalViz enhances the planning, execution, and analysis cycle' is load-bearing yet unsupported; the manuscript supplies no timing benchmarks, error-rate comparisons, throughput metrics, before/after case studies, or user-study results to demonstrate actual improvement over existing workflows or tools.

    Authors: We agree that the manuscript provides no quantitative metrics, benchmarks, or user studies to substantiate the workflow-enhancement claim. The statement was intended to describe the intended purpose of the integrated design rather than a demonstrated outcome. We will revise the abstract to remove this claim and instead describe the tool's capabilities, architecture, and integration with Mantid without asserting cycle improvement. revision: yes

  2. Referee: [Deployment section] Deployment and adoption description: The statement that the software 'is now being adopted by instrument teams and users' is presented without quantitative indicators (e.g., number of users, session logs, or feedback summaries), leaving the adoption claim unverified and weakening the assertion of workflow enhancement.

    Authors: We agree that the adoption statement lacks supporting quantitative data. The manuscript describes deployment on instrument and analysis servers but does not include usage statistics. We will revise the text to state only that the software has been deployed on these servers and is available to instrument teams and users, removing the claim of adoption. revision: yes

Circularity Check

0 steps flagged

No circularity: purely descriptive software paper with no derivations or predictions

full rationale

The manuscript describes the design, architecture (MVP with Mantid/PyVista/Qt), features (UB-matrix tools, reciprocal-space visualization), and deployment of NeuXtalViz without any equations, fitted parameters, predictions, or derivation chains. No load-bearing claims reduce by construction to self-citations or inputs; the enhancement statement is an unsubstantiated assertion rather than a derived result. This is a standard non-circular descriptive account of software.

Axiom & Free-Parameter Ledger

0 free parameters · 0 axioms · 0 invented entities

No mathematical claims, fitted parameters, or theoretical constructs are present; the paper is a software description.

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discussion (0)

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Reference graph

Works this paper leans on

59 extracted references · 47 canonical work pages

  1. [1]

    Donald E. Knuth. The book

  2. [2]

    : A Document Preparation System

    Leslie Lamport. : A Document Preparation System

  3. [3]

    L. Pauling. Proc. Natl Acad. Sci USA

  4. [4]

    Parth\'e and L.M

    E. Parth\'e and L.M. Gelato. The standardization of inorganic crystal-structure data. Acta Cryst. doi:10.1107/S0108767384000416

    work page doi:10.1107/s0108767384000416

  5. [5]

    & Kaszynski, A

    Sullivan, C. Bane and Kaszynski, Alexander A. , year = 2019, month = may, journal =. doi:10.21105/joss.01450 , issn =

    work page doi:10.21105/joss.01450 2019

  6. [6]

    Jana2020

    Pet. Jana2020. Zeitschrift f. doi:10.1515/zkri-2023-0005 , issn =

    work page doi:10.1515/zkri-2023-0005 2023

  7. [7]

    and Cage, Gregory and Fortney, Jon and Granroth, Garrett E

    Watson, Gregory R. and Cage, Gregory and Fortney, Jon and Granroth, Garrett E. and Hughes, Harry and Maier, Thomas and McDonnell, Marshall and Ramirez-Cuesta, Anibal and Smith, Robert and Yakubov, Sergey and Zhou, Wenduo , year = 2022, booktitle =. Calvera:. doi:10.1007/978-3-031-23606-8_9 , isbn =

    work page doi:10.1007/978-3-031-23606-8_9 2022

  8. [8]

    and Smith, J

    Artioli, G. and Smith, J. V. and Kvick,. Neutron diffraction study of natrolite,. Acta Cryst C , volume = 40, number = 10, pages =. doi:10.1107/S0108270184009070 , issn =

    work page doi:10.1107/s0108270184009070

  9. [9]

    American Mineralogist , volume = 77, number =

    Crystalline solution series and order-disorder within the natrolite mineral group , author =. American Mineralogist , volume = 77, number =

  10. [10]

    J Appl Cryst , volume = 55, number = 6, pages =

    Efficient data reduction for time-of-flight neutron scattering experiments on single crystals , author =. J Appl Cryst , volume = 55, number = 6, pages =. doi:10.1107/S1600576722009645 , issn =

    work page doi:10.1107/s1600576722009645

  11. [11]

    (ORCID:0000000344599142) and Myles, Dean A

    Meilleur, Flora (ORCID:0000000193138989) and Kovalevsky, Andrii Y. (ORCID:0000000344599142) and Myles, Dean A. A. (ORCID:0000000276934964) , year = 2020, month = feb, journal =. doi:10.1016/bs.mie.2019.11.016 , issn =

    work page doi:10.1016/bs.mie.2019.11.016 2020

  12. [12]

    Mighell, A. D. , year = 2001, month = dec, journal =. Lattice. doi:10.6028/jres.106.050 , issn =

    work page doi:10.6028/jres.106.050 2001

  13. [13]

    and Andrews, Katie M

    Cao, Huibo and Chakoumakos, Bryan C. and Andrews, Katie M. and Wu, Yan and Riedel, Richard A. and Hodges, Jason and Zhou, Wenduo and Gregory, Ray and Haberl, Bianca and Molaison, Jamie and Lynn, Gary W. , year = 2019, month = jan, journal =. doi:10.3390/cryst9010005 , urldate =

    work page doi:10.3390/cryst9010005 2019

  14. [14]

    Lumsden, M. D. and Robertson, J. L. and Yethiraj, M. , year = 2005, journal =. doi:10.1107/S0021889805004875 , issn =

    work page doi:10.1107/s0021889805004875 2005

  15. [15]

    Lumsden, M. D. and Robertson, J. L. and Yethiraj, M. , year = 2006, month = nov, journal =. doi:10.1016/j.physb.2006.06.071 , issn =

    work page doi:10.1016/j.physb.2006.06.071 2006

  16. [16]

    Sheldrick, G. M. , year = 2008, month = jan, journal =. A short history of. doi:10.1107/S0108767307043930 , issn =

    work page doi:10.1107/s0108767307043930 2008

  17. [17]

    Schultz, A. J. and J. Integration of neutron time-of-flight single-crystal. J Appl Cryst , volume = 47, number = 3, pages =. doi:10.1107/S1600576714006372 , issn =

    work page doi:10.1107/s1600576714006372

  18. [18]

    Frontzek, M. D. and Whitfield, R. and Andrews, K. M. and Jones, A. B. and Bobrek, M. and Vodopivec, K. and Chakoumakos, B. C. and Fernandez-Baca, J. A. , year = 2018, month = sep, journal =. doi:10.1063/1.5033900 , issn =

    work page doi:10.1063/1.5033900 2018

  19. [19]

    and Liu, Y

    Ye, F. and Liu, Y. and Whitfield, R. and Osborn, R. and Rosenkranz, S. , year = 2018, month = apr, journal =. Implementation of cross correlation for energy discrimination on the time-of-flight spectrometer. doi:10.1107/S160057671800403X , issn =

    work page doi:10.1107/s160057671800403x 2018

  20. [20]

    and Cao, H

    Coates, L. and Cao, H. B. and Chakoumakos, B. C. and Frontzek, M. D. and Hoffmann, C. and Kovalevsky, A. Y. and Liu, Y. and Meilleur, F. and dos Santos, A. M. and Myles, D. a. A. and Wang, X. P. and Ye, F. , year = 2018, month = sep, journal =. A suite-level review of the neutron single-crystal diffraction instruments at. doi:10.1063/1.5030896 , issn =

    work page doi:10.1063/1.5030896 2018

  21. [21]

    and Martin, James D

    Weng, James and Dill, Eric D. and Martin, James D. and Whitfield, Ross and Hoffmann, Christina and Ye, Feng , year = 2020, month = feb, journal =. K-space algorithmic reconstruction (. doi:10.1107/S1600576719017060 , issn =

    work page doi:10.1107/s1600576719017060 2020

  22. [22]

    Busing, W. R. and Levy, H. A. , year = 1967, month = apr, journal =. Angle calculations for 3- and 4-circle. doi:10.1107/S0365110X67000970 , issn =

    work page doi:10.1107/s0365110x67000970 1967

  23. [23]

    and Savici, Andrei T

    Michels-Clark, Tara M. and Savici, Andrei T. and Lynch, Vickie E. and Wang, Xiaoping and Hoffmann, Christina M. , year = 2016, month = mar, journal =. Expanding. doi:10.1107/S1600576716001369 , issn =

    work page doi:10.1107/s1600576716001369 2016

  24. [24]

    Arnold and J.C

    Arnold, O. and Bilheux, J. C. and Borreguero, J. M. and Buts, A. and Campbell, S. I. and Chapon, L. and Doucet, M. and Draper, N. and Ferraz Leal, R. and Gigg, M. A. and Lynch, V. E. and Markvardsen, A. and Mikkelson, D. J. and Mikkelson, R. L. and Miller, R. and Palmen, K. and Parker, P. and Passos, G. and Perring, T. G. and Peterson, P. F. and Ren, S. a...

    work page doi:10.1016/j.nima.2014.07.029 2014

  25. [25]

    and Wang, Xiaoping P

    Zikovsky, Janik and Peterson, Peter F. and Wang, Xiaoping P. and Frost, Matthew and Hoffmann, Christina , year = 2011, month = apr, journal =. doi:10.1107/S0021889811007102 , issn =

    work page doi:10.1107/s0021889811007102 2011

  26. [26]

    and Neder, R

    Proffen, T. and Neder, R. B. , year = 1997, month = apr, journal =. doi:10.1107/S002188989600934X , issn =

    work page doi:10.1107/s002188989600934x 1997

  27. [27]

    and Bolotovsky, R

    Steller, I. and Bolotovsky, R. and Rossmann, M. G. , year = 1997, month = dec, journal =. An. doi:10.1107/S0021889897008777 , issn =

    work page doi:10.1107/s0021889897008777 1997

  28. [28]

    Bruhwiler, David and Bruhwiler, Kevin and Hoffmann, Christina and Kuhn, Alexander and Mensmann, J. Rapid. doi:10.18429/JACoW-IPAC2021-TUPAB413 , isbn =

    work page doi:10.18429/jacow-ipac2021-tupab413

  29. [29]

    Morgan, Z. J. and Zhou, H. D. and Chakoumakos, B. C. and Ye, F. , year = 2021, month = dec, journal =. rmc-discord: reverse. doi:10.1107/S1600576721010141 , issn =

    work page doi:10.1107/s1600576721010141 2021

  30. [30]

    Jan Hermann, Zeno Schätzle, and Frank Noé

    Harris, Charles R. and Millman, K. Jarrod and van der Walt, St. Array programming with. Nature , volume = 585, number = 7825, pages =. doi:10.1038/s41586-020-2649-2 , issn =

    work page doi:10.1038/s41586-020-2649-2

  31. [31]

    2007 Matplotlib: A 2D Graphics Environment

    Hunter, John D. , year = 2007, month = may, journal =. Matplotlib:. doi:10.1109/MCSE.2007.55 , issn =

    work page doi:10.1109/mcse.2007.55 2007

  32. [32]

    Acta Crystallographica Section C , volume = 42, number = 8, pages =

    X-ray structure refinement of mesolite , author =. Acta Crystallographica Section C , volume = 42, number = 8, pages =. doi:10.1107/S0108270186093939 , issn =

    work page doi:10.1107/s0108270186093939

  33. [33]

    Integrating

    Hahn, Steven E and Fackler, Philip W and Godoy, William F and Maheshwari, Ketan and Morgan, Zachary and Savici, Andrei T and Hoffmann, Christina M and Valero-Lara, Pedro and Vetter, Jeffrey S and da Silva, Rafael Ferreira , year = 2024, booktitle =. Integrating

    2024

  34. [35]

    Area detectors in single-crystal neutron diffraction , author =. J. Phys. D: Appl. Phys. , volume = 48, number = 50, pages = 504002, doi =

  35. [36]

    Interactive automated

    Kilpatrick, Matthew and Bruhwiler, David and Carlin, Evan and Nagler, Robert and Kuhn, Alexander and Tatulea, Dragos and Mensmann, J. Interactive automated. Proc. doi:10.18429/JACoW-IPAC2023-THPM117 , isbn =

    work page doi:10.18429/jacow-ipac2023-thpm117

  36. [37]

    VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data

    Momma, K. and Izumi, F. , year = 2011, month = dec, journal =. doi:10.1107/S0021889811038970 , issn =

    work page doi:10.1107/s0021889811038970 2011

  37. [38]

    Coordinated,

    Mikkelson, DJ and Mikkelson, RL and Worlton, TG and Chatterjee, A and Hammonds, JP and Peterson, PF and Schultz, AJ , year = 2002, journal =. Coordinated,

    2002

  38. [39]

    and Cuneo, M

    Coates, L. and Cuneo, M. J. and Frost, M. J. and He, J. and Weiss, K. L. and Tomanicek, S. J. and McFeeters, H. and Vandavasi, V. G. and Langan, P. and Iverson, E. B. , year = 2015, month = aug, journal =. The. doi:10.1107/S1600576715011243 , issn =

    work page doi:10.1107/s1600576715011243 2015

  39. [40]

    and Avila, L.S

    Schroeder, W.J. and Avila, L.S. and Hoffman, W. , year = 2000, month = sep, journal =. Visualizing with. doi:10.1109/38.865875 , issn =

    work page doi:10.1109/38.865875 2000

  40. [41]

    The visualization handbook , author =

  41. [42]

    Paraview:

    Ahrens, James and Geveci, Berk and Law, Charles , year = 2005, journal =. Paraview:

    2005

  42. [43]

    Brown, I. D. and McMahon, B. , year = 2002, month = jun, journal =. doi:10.1107/S0108768102003464 , issn =

    work page doi:10.1107/s0108768102003464 2002

  43. [44]

    Shen , author Y

    Massani, B. and Loveday, J. S. and Molaison, J. J. and dos Santos, A. M. and Wang, X. P. and Daemen, L. L. and Haberl, B. and Boehler, R. and Guthrie, M. , year = 2020, month = jul, journal =. On single-crystal neutron-diffraction in. doi:10.1080/08957959.2020.1767100 , issn =

    work page doi:10.1080/08957959.2020.1767100 2020

  44. [45]

    Ramachandran, Prabhu and Varoquaux, Gael , year = 2011, month = mar, journal =. Mayavi:. doi:10.1109/MCSE.2011.35 , issn =

    work page doi:10.1109/mcse.2011.35 2011

  45. [46]

    Z and Osborn, R , year = 1997, month = dec, journal =

    Klosowski, P and Koennecke, M and Tischler, J. Z and Osborn, R , year = 1997, month = dec, journal =. doi:10.1016/S0921-4526(97)00865-X , issn =

    work page doi:10.1016/s0921-4526(97)00865-x 1997

  46. [47]

    doi:10.1063/4.0000915 , issn =

    Xiao, Zhongcan and Zhang, Guannan and Morgan, Zachary and Reshniak, Viktor and Wang, Xiaoping , year = 2025, month = oct, journal =. doi:10.1063/4.0000915 , issn =

    work page doi:10.1063/4.0000915 2025

  47. [48]

    Wang, Xiaoping , year = 2025, month = oct, journal =. Single-. doi:10.1063/4.0000964 , issn =

    work page doi:10.1063/4.0000964 2025

  48. [49]

    Integrated edge-to-exascale workflow for real-time steering in neutron scattering experiments , author =. Struct. Dyn. , volume = 11, number = 6, pages =. doi:10.1063/4.0000279 , issn =

    work page doi:10.1063/4.0000279

  49. [50]

    Proceedings of the

    A density-based algorithm for discovering clusters in large spatial databases with noise , author =. Proceedings of the

  50. [51]

    Zeitschrift f

    An elementary introduction to superspace crystallography , author =. Zeitschrift f. doi:10.1524/zkri.219.11.681.52429 , issn =

    work page doi:10.1524/zkri.219.11.681.52429

  51. [52]

    Scikit-learn:

    Pedregosa, Fabian and Varoquaux, Ga. Scikit-learn:. Journal of Machine Learning Research , urldate =

  52. [53]

    and Gonzalez-Platas, J

    Rodriguez-Carvajal, J. and Gonzalez-Platas, J. and Katcho, N. A. , year = 2025, month = jun, journal =. Magnetic structure determination and refinement using. doi:10.1107/S2052520625003944 , issn =

    work page doi:10.1107/s2052520625003944 2025

  53. [54]

    J Appl Cryst , volume = 44, number = 6, pages =

    H. J Appl Cryst , volume = 44, number = 6, pages =. doi:10.1107/S0021889811043202 , issn =

    work page doi:10.1107/s0021889811043202

  54. [55]

    Dolomanov, O. V. and Bourhis, L. J. and Gildea, R. J. and Howard, J. a. K. and Puschmann, H. , year = 2009, month = apr, journal =. doi:10.1107/S0021889808042726 , issn =

    work page doi:10.1107/s0021889808042726 2009

  55. [56]

    Fancher, C. M. and Hoffmann, C. and Sedov, V. and Parizzi, A. and Zhou, W. and Schultz, A. J. and Wang, X. P. and Long, D. , year = 2018, month = sep, journal =. Time filtering of event based neutron scattering data:. doi:10.1063/1.5031798 , issn =

    work page doi:10.1063/1.5031798 2018

  56. [57]

    Granroth, G. E. and An, K. and Smith, H. L. and Whitfield, P. and Neuefeind, J. C. and Lee, J. and Zhou, W. and Sedov, V. N. and Peterson, P. F. and Parizzi, A. and Skorpenske, H. and Hartman, S. M. and Huq, A. and Abernathy, D. L. , year = 2018, month = jun, journal =. Event-based processing of neutron scattering data at the. doi:10.1107/S160057671800472...

    work page doi:10.1107/s1600576718004727 2018

  57. [58]

    Zeitschrift f

    A neutron diffraction study of the bonding of zeolitic water in scolecite at 20 ? , author =. Zeitschrift f. doi:10.1524/zkri.1985.171.14.141 , issn =

    work page doi:10.1524/zkri.1985.171.14.141 1985

  58. [59]

    doi:10.18429/JACOW-IPAC2024-THPG84 , issn =

    work page doi:10.18429/jacow-ipac2024-thpg84

  59. [60]

    2018 , doi =

    Parker, Peter and Ren, Shelly , collaborator =. 2018 , doi =

    2018