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MsQuality: an interoperable open-source package for the calculation of standardized quality metrics of mass spectrometry data
MOTIVATION: Multiple factors can impact accuracy and reproducibility of mass spectrometry data. There is a need to integrate quality assessment and control into data analytic workflows. RESULTS: The MsQuality package calculates 43 low-level quality metrics based on the controlled mzQC vocabulary def...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Oxford University Press
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10580266/ https://www.ncbi.nlm.nih.gov/pubmed/37812234 http://dx.doi.org/10.1093/bioinformatics/btad618 |
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author | Naake, Thomas Rainer, Johannes Huber, Wolfgang |
author_facet | Naake, Thomas Rainer, Johannes Huber, Wolfgang |
author_sort | Naake, Thomas |
collection | PubMed |
description | MOTIVATION: Multiple factors can impact accuracy and reproducibility of mass spectrometry data. There is a need to integrate quality assessment and control into data analytic workflows. RESULTS: The MsQuality package calculates 43 low-level quality metrics based on the controlled mzQC vocabulary defined by the HUPO-PSI on a single mass spectrometry-based measurement of a sample. It helps to identify low-quality measurements and track data quality. Its use of community-standard quality metrics facilitates comparability of quality assessment and control (QA/QC) criteria across datasets. AVAILABILITY AND IMPLEMENTATION: The R package MsQuality is available through Bioconductor at https://bioconductor.org/packages/MsQuality. |
format | Online Article Text |
id | pubmed-10580266 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | Oxford University Press |
record_format | MEDLINE/PubMed |
spelling | pubmed-105802662023-10-18 MsQuality: an interoperable open-source package for the calculation of standardized quality metrics of mass spectrometry data Naake, Thomas Rainer, Johannes Huber, Wolfgang Bioinformatics Applications Note MOTIVATION: Multiple factors can impact accuracy and reproducibility of mass spectrometry data. There is a need to integrate quality assessment and control into data analytic workflows. RESULTS: The MsQuality package calculates 43 low-level quality metrics based on the controlled mzQC vocabulary defined by the HUPO-PSI on a single mass spectrometry-based measurement of a sample. It helps to identify low-quality measurements and track data quality. Its use of community-standard quality metrics facilitates comparability of quality assessment and control (QA/QC) criteria across datasets. AVAILABILITY AND IMPLEMENTATION: The R package MsQuality is available through Bioconductor at https://bioconductor.org/packages/MsQuality. Oxford University Press 2023-10-09 /pmc/articles/PMC10580266/ /pubmed/37812234 http://dx.doi.org/10.1093/bioinformatics/btad618 Text en © The Author(s) 2023. Published by Oxford University Press. https://creativecommons.org/licenses/by/4.0/This is an Open Access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Applications Note Naake, Thomas Rainer, Johannes Huber, Wolfgang MsQuality: an interoperable open-source package for the calculation of standardized quality metrics of mass spectrometry data |
title | MsQuality: an interoperable open-source package for the calculation of standardized quality metrics of mass spectrometry data |
title_full | MsQuality: an interoperable open-source package for the calculation of standardized quality metrics of mass spectrometry data |
title_fullStr | MsQuality: an interoperable open-source package for the calculation of standardized quality metrics of mass spectrometry data |
title_full_unstemmed | MsQuality: an interoperable open-source package for the calculation of standardized quality metrics of mass spectrometry data |
title_short | MsQuality: an interoperable open-source package for the calculation of standardized quality metrics of mass spectrometry data |
title_sort | msquality: an interoperable open-source package for the calculation of standardized quality metrics of mass spectrometry data |
topic | Applications Note |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10580266/ https://www.ncbi.nlm.nih.gov/pubmed/37812234 http://dx.doi.org/10.1093/bioinformatics/btad618 |
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