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Merge pull request #375 from elichad/xafs-use-case
Add use case page: Reproducible XAFS Analyses
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page_id: rexafs | ||
title: Reproducible XAFS Analyses | ||
description: Reproducible XAFS Analyses publishes reproducible X-ray absorption fine structure (XAFS) analyses using Galaxy RO-Crates, targeting the area of Catalysis. | ||
url: https://zenodo.org/communities/rexas/records | ||
image: ReXAFS.png | ||
domains: [chemistry] # should match item(s) in pages/domains | ||
tasks: [research, curation, data_management] # should match item(s) in pages/tasks | ||
roles: [researcher, data_steward, data_analyst, software_developer, repository_manager] # should match item(s) in pages/roles | ||
--- | ||
<!-- | ||
Copyright 2019-2022 RO-Crate contributors | ||
<https://github.com/ResearchObject/ro-crate/graphs/contributors> | ||
Licensed under the Apache License, Version 2.0 (the "License"); | ||
you may not use this file except in compliance with the License. | ||
You may obtain a copy of the License at | ||
http://www.apache.org/licenses/LICENSE-2.0 | ||
Unless required by applicable law or agreed to in writing, software | ||
distributed under the License is distributed on an "AS IS" BASIS, | ||
WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. | ||
See the License for the specific language governing permissions and | ||
limitations under the License. | ||
--> | ||
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# Reproducible XAFS Analyses | ||
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The [Reproducible XAFS Analyses Zenodo community](https://zenodo.org/communities/rexas/records) groups Galaxy RO-Crates containing workflows and data for the reproduction of published papers which contain X-ray absorption fine structure (XAFS) analyses. | ||
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As of November 2024, the team has reproduced published results from nine papers in the area of Catalysis. The original analyses were reproduced using X-ray absorption spectroscopy (XAS) Galaxy tools developed by the [Scientific Computing Department](https://www.scd.stfc.ac.uk/Pages/home.aspx) at [STFC](https://www.ukri.org/councils/stfc/) as part of the [PSDI](https://www.psdi.ac.uk) project, with the [UK Catalysis Hub](https://www.ukcatalysishub.org) providing the use cases and gathering the data used. | ||
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RO-Crates exported from Galaxy have been published to the Zenodo community as part of the research data submitted for the paper: **Use of scientific workflows to support the processing and analysis of catalysis research data from XAFS experiments** (Under review). | ||
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The team will keep on adding more RO-Crates from examples relevant to the catalysis domain. | ||
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[Tutorials](https://xerte.cardiff.ac.uk/play_22679#PG1732791153760) have also been developed to train researchers in reproducing XAFS analyses using Galaxy and RO-Crate. | ||
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## Resources | ||
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* [Reproducible XAFS Analyses on Zenodo](https://zenodo.org/communities/rexas/records) | ||
* [PSDI tutorials on using Galaxy RO-Crates](https://xerte.cardiff.ac.uk/play_22679#PG1732791153760) | ||
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## Keywords | ||
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XAFS reproducibility, Galaxy RO-Crates, Catalyst Characterisation | ||
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## Publications | ||
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**Use of scientific workflows to support the processing and analysis of catalysis research data from XAFS experiments** (under review, not yet public) | ||
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![ReXAFS logo](../../assets/img/ReXAFS.png) |