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MS Amanda 2.0: Advancements in the standalone implementation
RATIONALE: Database search engines are the preferred method to identify peptides in mass spectrometry data. However, valuable software is in this context not only defined by a powerful algorithm to separate correct from false identifications, but also by constant maintenance and continuous improveme...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8244010/ https://www.ncbi.nlm.nih.gov/pubmed/33759252 http://dx.doi.org/10.1002/rcm.9088 |
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author | Dorfer, Viktoria Strobl, Marina Winkler, Stephan Mechtler, Karl |
author_facet | Dorfer, Viktoria Strobl, Marina Winkler, Stephan Mechtler, Karl |
author_sort | Dorfer, Viktoria |
collection | PubMed |
description | RATIONALE: Database search engines are the preferred method to identify peptides in mass spectrometry data. However, valuable software is in this context not only defined by a powerful algorithm to separate correct from false identifications, but also by constant maintenance and continuous improvements. METHODS: In 2014, we presented our peptide identification algorithm MS Amanda, showing its suitability for identifying peptides in high‐resolution tandem mass spectrometry data and its ability to outperform widely used tools to identify peptides. Since then, we have continuously worked on improvements to enhance its usability and to support new trends and developments in this fast‐growing field, while keeping the original scoring algorithm to assess the quality of a peptide spectrum match unchanged. RESULTS: We present the outcome of these efforts, MS Amanda 2.0, a faster and more flexible standalone version with the original scoring algorithm. The new implementation has led to a 3–5× speedup, is able to handle new ion types and supports standard data formats. We also show that MS Amanda 2.0 works best when using only the most common ion types in a particular search instead of all possible ion types. CONCLUSIONS: MS Amanda is available free of charge from https://ms.imp.ac.at/index.php?action=msamanda. |
format | Online Article Text |
id | pubmed-8244010 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | John Wiley and Sons Inc. |
record_format | MEDLINE/PubMed |
spelling | pubmed-82440102021-07-02 MS Amanda 2.0: Advancements in the standalone implementation Dorfer, Viktoria Strobl, Marina Winkler, Stephan Mechtler, Karl Rapid Commun Mass Spectrom Research Articles RATIONALE: Database search engines are the preferred method to identify peptides in mass spectrometry data. However, valuable software is in this context not only defined by a powerful algorithm to separate correct from false identifications, but also by constant maintenance and continuous improvements. METHODS: In 2014, we presented our peptide identification algorithm MS Amanda, showing its suitability for identifying peptides in high‐resolution tandem mass spectrometry data and its ability to outperform widely used tools to identify peptides. Since then, we have continuously worked on improvements to enhance its usability and to support new trends and developments in this fast‐growing field, while keeping the original scoring algorithm to assess the quality of a peptide spectrum match unchanged. RESULTS: We present the outcome of these efforts, MS Amanda 2.0, a faster and more flexible standalone version with the original scoring algorithm. The new implementation has led to a 3–5× speedup, is able to handle new ion types and supports standard data formats. We also show that MS Amanda 2.0 works best when using only the most common ion types in a particular search instead of all possible ion types. CONCLUSIONS: MS Amanda is available free of charge from https://ms.imp.ac.at/index.php?action=msamanda. John Wiley and Sons Inc. 2021-05-05 2021-06-15 /pmc/articles/PMC8244010/ /pubmed/33759252 http://dx.doi.org/10.1002/rcm.9088 Text en © 2021 The Authors. Rapid Communications in Mass Spectrometry published by John Wiley & Sons Ltd. https://creativecommons.org/licenses/by/4.0/This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Research Articles Dorfer, Viktoria Strobl, Marina Winkler, Stephan Mechtler, Karl MS Amanda 2.0: Advancements in the standalone implementation |
title | MS Amanda 2.0: Advancements in the standalone implementation |
title_full | MS Amanda 2.0: Advancements in the standalone implementation |
title_fullStr | MS Amanda 2.0: Advancements in the standalone implementation |
title_full_unstemmed | MS Amanda 2.0: Advancements in the standalone implementation |
title_short | MS Amanda 2.0: Advancements in the standalone implementation |
title_sort | ms amanda 2.0: advancements in the standalone implementation |
topic | Research Articles |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8244010/ https://www.ncbi.nlm.nih.gov/pubmed/33759252 http://dx.doi.org/10.1002/rcm.9088 |
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