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Efficient analysis and extraction of MS/MS result data from Mascot™ result files

BACKGROUND: Mascot™ is a commonly used protein identification program for MS as well as for tandem MS data. When analyzing huge shotgun proteomics datasets with Mascot™'s native tools, limits of computing resources are easily reached. Up to now no application has been available as open source t...

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Autores principales: Grosse-Coosmann, Florian, Boehm, Andreas M, Sickmann, Albert
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2005
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1325259/
https://www.ncbi.nlm.nih.gov/pubmed/16336652
http://dx.doi.org/10.1186/1471-2105-6-290
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author Grosse-Coosmann, Florian
Boehm, Andreas M
Sickmann, Albert
author_facet Grosse-Coosmann, Florian
Boehm, Andreas M
Sickmann, Albert
author_sort Grosse-Coosmann, Florian
collection PubMed
description BACKGROUND: Mascot™ is a commonly used protein identification program for MS as well as for tandem MS data. When analyzing huge shotgun proteomics datasets with Mascot™'s native tools, limits of computing resources are easily reached. Up to now no application has been available as open source that is capable of converting the full content of Mascot™ result files from the original MIME format into a database-compatible tabular format, allowing direct import into database management systems and efficient handling of huge datasets analyzed by Mascot™. RESULTS: A program called mres2x is presented, which reads Mascot™ result files, analyzes them and extracts either selected or all information in order to store it in a single file or multiple files in formats which are easier to handle downstream of Mascot™. It generates different output formats. The output of mres2x in tab format is especially designed for direct high-performance import into relational database management systems using native tools of these systems. Having the data available in database management systems allows complex queries and extensive analysis. In addition, the original peak lists can be extracted in DTA format suitable for protein identification using the Sequest™ program, and the Mascot™ files can be split, preserving the original data format. During conversion, several consistency checks are performed. mres2x is designed to provide high throughput processing combined with the possibility to be driven by other computer programs. The source code including supplement material and precompiled binaries is available via and . CONCLUSION: The database upload allows regrouping of the MS/MS results using a database management system and complex analyzing queries using SQL without the need to run new Mascot™ searches when changing grouping parameters.
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spelling pubmed-13252592006-01-07 Efficient analysis and extraction of MS/MS result data from Mascot™ result files Grosse-Coosmann, Florian Boehm, Andreas M Sickmann, Albert BMC Bioinformatics Software BACKGROUND: Mascot™ is a commonly used protein identification program for MS as well as for tandem MS data. When analyzing huge shotgun proteomics datasets with Mascot™'s native tools, limits of computing resources are easily reached. Up to now no application has been available as open source that is capable of converting the full content of Mascot™ result files from the original MIME format into a database-compatible tabular format, allowing direct import into database management systems and efficient handling of huge datasets analyzed by Mascot™. RESULTS: A program called mres2x is presented, which reads Mascot™ result files, analyzes them and extracts either selected or all information in order to store it in a single file or multiple files in formats which are easier to handle downstream of Mascot™. It generates different output formats. The output of mres2x in tab format is especially designed for direct high-performance import into relational database management systems using native tools of these systems. Having the data available in database management systems allows complex queries and extensive analysis. In addition, the original peak lists can be extracted in DTA format suitable for protein identification using the Sequest™ program, and the Mascot™ files can be split, preserving the original data format. During conversion, several consistency checks are performed. mres2x is designed to provide high throughput processing combined with the possibility to be driven by other computer programs. The source code including supplement material and precompiled binaries is available via and . CONCLUSION: The database upload allows regrouping of the MS/MS results using a database management system and complex analyzing queries using SQL without the need to run new Mascot™ searches when changing grouping parameters. BioMed Central 2005-12-07 /pmc/articles/PMC1325259/ /pubmed/16336652 http://dx.doi.org/10.1186/1471-2105-6-290 Text en Copyright © 2005 Grosse-Coosmann et al; licensee BioMed Central Ltd. http://creativecommons.org/licenses/by/2.0 This is an Open Access article distributed under the terms of the Creative Commons Attribution License ( (http://creativecommons.org/licenses/by/2.0) ), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Software
Grosse-Coosmann, Florian
Boehm, Andreas M
Sickmann, Albert
Efficient analysis and extraction of MS/MS result data from Mascot™ result files
title Efficient analysis and extraction of MS/MS result data from Mascot™ result files
title_full Efficient analysis and extraction of MS/MS result data from Mascot™ result files
title_fullStr Efficient analysis and extraction of MS/MS result data from Mascot™ result files
title_full_unstemmed Efficient analysis and extraction of MS/MS result data from Mascot™ result files
title_short Efficient analysis and extraction of MS/MS result data from Mascot™ result files
title_sort efficient analysis and extraction of ms/ms result data from mascot™ result files
topic Software
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1325259/
https://www.ncbi.nlm.nih.gov/pubmed/16336652
http://dx.doi.org/10.1186/1471-2105-6-290
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