Data analysis workflows, reproducibility and sharing with RO-Crate in Materials Galaxy
Authors: Chadwick, Eli, Nieva de la Hidalga, Abraham, Austin, Patrick, Lowe, Douglas, Reed, Phil
Type: Lesson
Published: 2026-07-29
Keywords: tutorial, RO-Crate, Galaxy

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<p><em>Tutorial delivered as part of <a href="https://indico.stfc.ac.uk/event/1893/"><span class="conference-title-link">PSDI & Royce Materials Data Summit</span></a>, 29 July 2026, The University of Manchester, UK.</em></p>
<h3>Description</h3>
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<p>This tutorial introduces the Research Crate Object (RO-Crate), Galaxy and reproducible workflows in Materials Science. We begin with RO-Crate and applications in research, narrowing the scope to Materials. Moving to the practical element of the tutorial, we demonstrate usage of RO-Crates by reproducible workflows on the Galaxy platform with Materials Galaxy where participants will create, run, share, and inspect workflows in Materials Galaxy.</p>
<h2>Instructors</h2>
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<li>eScience Lab, the University of Manchester</li>
<li>Materials Galaxy, Cardiff University; Science and Technology Facilities Council (STFC)</li>
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<h2>Requirements</h2>
<p>To follow along with this session you will need to bring your <strong>own device</strong>, preferably a <strong>laptop</strong>.</p>
<h2>Reading and setup</h2>
<h3>Reading</h3>
<ol>
<li>The following <a href="https://galaxyproject.github.io/training-material/topics/introduction/tutorials/introduction/slides.html">presentation</a> will provide an introduction to the Galaxy user interface and motivation for using Galaxy</li>
<li>This <a href="https://xerte.cardiff.ac.uk/play_22519">material</a> provides a brief introduction to working with RO-Crates in Galaxy, please note this material forms the basis of one of the practical parts of the tutorial</li>
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<h3>Setup</h3>
<p>In advance to the workshop participants should:</p>
<ol>
<li>Register for an account on <a href="https://materialsgalaxy.stfc.ac.uk/">Materials Galaxy</a>. The following <a href="https://training.galaxyproject.org/training-material/faqs/galaxy/account_create.html">tutorial</a> can be used as a guide to signing up, however, please note that the Galaxy Platform you are signing up to is Materials Galaxy</li>
<li>Download the required <a href="https://doi.org/10.5281/zenodo.13987511">tutorial materials</a> from Zenodo</li>
<li>Verify they can access the tutorial pages for each section (the materials will be used to instruct during the tutorial): <a href="https://xerte.cardiff.ac.uk/play_22545">Importing and Running a workflow</a>, <a href="https://xerte.cardiff.ac.uk/play_22439">Creating an RO-Crate</a>, <a href="https://xerte.cardiff.ac.uk/play_22519">Importing an RO-Crate</a></li>
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<h2>Timetable</h2>
<p>12:05 - 12:25: <strong>RO-Crate</strong></p>
<ul>
<li>Introduction to Research Object Crate (RO-Crate)</li>
<li>RO-Crate applications in Materials Science</li>
<li>[<em>Slides are part of this Zenodo record: </em><strong>RO-Crate for materials science.pdf,.pptx</strong>]</li>
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<p>12:25 - 13:25: <strong>Materials Galaxy</strong></p>
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<li>Importing a workflow and dataset, running the workflow, and exporting the workflow run as an RO-Crate in Materials Galaxy</li>
<li>Retrieving and inspecting the RO-Crate in Materials Galaxy</li>
<li>Running the RO-Crate and comparing the results to demonstrate reproducibility</li>
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<p>13:25 - 13:35: Break</p>
<p>13:35 - 14:30: <strong>Materials Galaxy</strong></p>
<ul>
<li>Providing guidelines on annotation and publishing to Zenodo/Invenio<br>for long‑term preservation [<em>Note: this item was cut due to time</em>]</li>
<li>Accessing and inspecting workflows in WorkflowHub [<em>Slides: </em><strong>20260729_WorkflowHub.pdf,.pptx</strong>]</li>
<li>CDIF-4-XAS [<em>Note: this item was cut due to time but the slides are provided:</em>     <br><strong>20260729_CDIF.pdf,.pptx</strong>]</li>
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