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Accessible and reproducible mass spectrometry imaging data analysis in Galaxy

BACKGROUND: Mass spectrometry imaging is increasingly used in biological and translational research because it has the ability to determine the spatial distribution of hundreds of analytes in a sample. Being at the interface of proteomics/metabolomics and imaging, the acquired datasets are large and...

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Autores principales: Föll, Melanie Christine, Moritz, Lennart, Wollmann, Thomas, Stillger, Maren Nicole, Vockert, Niklas, Werner, Martin, Bronsert, Peter, Rohr, Karl, Grüning, Björn Andreas, Schilling, Oliver
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6901077/
https://www.ncbi.nlm.nih.gov/pubmed/31816088
http://dx.doi.org/10.1093/gigascience/giz143
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author Föll, Melanie Christine
Moritz, Lennart
Wollmann, Thomas
Stillger, Maren Nicole
Vockert, Niklas
Werner, Martin
Bronsert, Peter
Rohr, Karl
Grüning, Björn Andreas
Schilling, Oliver
author_facet Föll, Melanie Christine
Moritz, Lennart
Wollmann, Thomas
Stillger, Maren Nicole
Vockert, Niklas
Werner, Martin
Bronsert, Peter
Rohr, Karl
Grüning, Björn Andreas
Schilling, Oliver
author_sort Föll, Melanie Christine
collection PubMed
description BACKGROUND: Mass spectrometry imaging is increasingly used in biological and translational research because it has the ability to determine the spatial distribution of hundreds of analytes in a sample. Being at the interface of proteomics/metabolomics and imaging, the acquired datasets are large and complex and often analyzed with proprietary software or in-house scripts, which hinders reproducibility. Open source software solutions that enable reproducible data analysis often require programming skills and are therefore not accessible to many mass spectrometry imaging (MSI) researchers. FINDINGS: We have integrated 18 dedicated mass spectrometry imaging tools into the Galaxy framework to allow accessible, reproducible, and transparent data analysis. Our tools are based on Cardinal, MALDIquant, and scikit-image and enable all major MSI analysis steps such as quality control, visualization, preprocessing, statistical analysis, and image co-registration. Furthermore, we created hands-on training material for use cases in proteomics and metabolomics. To demonstrate the utility of our tools, we re-analyzed a publicly available N-linked glycan imaging dataset. By providing the entire analysis history online, we highlight how the Galaxy framework fosters transparent and reproducible research. CONCLUSION: The Galaxy framework has emerged as a powerful analysis platform for the analysis of MSI data with ease of use and access, together with high levels of reproducibility and transparency.
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spelling pubmed-69010772019-12-16 Accessible and reproducible mass spectrometry imaging data analysis in Galaxy Föll, Melanie Christine Moritz, Lennart Wollmann, Thomas Stillger, Maren Nicole Vockert, Niklas Werner, Martin Bronsert, Peter Rohr, Karl Grüning, Björn Andreas Schilling, Oliver Gigascience Technical Note BACKGROUND: Mass spectrometry imaging is increasingly used in biological and translational research because it has the ability to determine the spatial distribution of hundreds of analytes in a sample. Being at the interface of proteomics/metabolomics and imaging, the acquired datasets are large and complex and often analyzed with proprietary software or in-house scripts, which hinders reproducibility. Open source software solutions that enable reproducible data analysis often require programming skills and are therefore not accessible to many mass spectrometry imaging (MSI) researchers. FINDINGS: We have integrated 18 dedicated mass spectrometry imaging tools into the Galaxy framework to allow accessible, reproducible, and transparent data analysis. Our tools are based on Cardinal, MALDIquant, and scikit-image and enable all major MSI analysis steps such as quality control, visualization, preprocessing, statistical analysis, and image co-registration. Furthermore, we created hands-on training material for use cases in proteomics and metabolomics. To demonstrate the utility of our tools, we re-analyzed a publicly available N-linked glycan imaging dataset. By providing the entire analysis history online, we highlight how the Galaxy framework fosters transparent and reproducible research. CONCLUSION: The Galaxy framework has emerged as a powerful analysis platform for the analysis of MSI data with ease of use and access, together with high levels of reproducibility and transparency. Oxford University Press 2019-12-09 /pmc/articles/PMC6901077/ /pubmed/31816088 http://dx.doi.org/10.1093/gigascience/giz143 Text en © The Author(s) 2019. Published by Oxford University Press. http://creativecommons.org/licenses/by/4.0/ This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Technical Note
Föll, Melanie Christine
Moritz, Lennart
Wollmann, Thomas
Stillger, Maren Nicole
Vockert, Niklas
Werner, Martin
Bronsert, Peter
Rohr, Karl
Grüning, Björn Andreas
Schilling, Oliver
Accessible and reproducible mass spectrometry imaging data analysis in Galaxy
title Accessible and reproducible mass spectrometry imaging data analysis in Galaxy
title_full Accessible and reproducible mass spectrometry imaging data analysis in Galaxy
title_fullStr Accessible and reproducible mass spectrometry imaging data analysis in Galaxy
title_full_unstemmed Accessible and reproducible mass spectrometry imaging data analysis in Galaxy
title_short Accessible and reproducible mass spectrometry imaging data analysis in Galaxy
title_sort accessible and reproducible mass spectrometry imaging data analysis in galaxy
topic Technical Note
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6901077/
https://www.ncbi.nlm.nih.gov/pubmed/31816088
http://dx.doi.org/10.1093/gigascience/giz143
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