Treffer: Unified and Standardized Mass Spectrometry Data Processing in Python Using spectrum_utils.

Title:
Unified and Standardized Mass Spectrometry Data Processing in Python Using spectrum_utils.
Authors:
Bittremieux W; Department of Computer Science, University of Antwerp, 2020 Antwerp, Belgium.; Biomedical Informatics Network Antwerpen (biomina), 2020 Antwerp, Belgium., Levitsky L; V. L. Talrose Institute for Energy Problems of Chemical Physics, N. N. Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences, 119334 Moscow, Russia., Pilz M; Institute for Bioinformatics and Medical Informatics, University of Tübingen, 72076 Tübingen, Germany., Sachsenberg T; Institute for Bioinformatics and Medical Informatics, University of Tübingen, 72076 Tübingen, Germany., Huber F; Centre for Digitalisation and Digitality, University of Applied Sciences Düsseldorf, 40476 Düsseldorf, Germany., Wang M; Department of Computer Science, University of California─Riverside, Riverside, California 92507, United States., Dorrestein PC; Collaborative Mass Spectrometry Innovation Center, University of California─San Diego, La Jolla, California 92093, United States.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California─San Diego, La Jolla California 92093, United States.
Source:
Journal of proteome research [J Proteome Res] 2023 Feb 03; Vol. 22 (2), pp. 625-631. Date of Electronic Publication: 2023 Jan 23.
Publication Type:
Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.
Language:
English
Journal Info:
Publisher: American Chemical Society Country of Publication: United States NLM ID: 101128775 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1535-3907 (Electronic) Linking ISSN: 15353893 NLM ISO Abbreviation: J Proteome Res Subsets: MEDLINE
Imprint Name(s):
Original Publication: Washington, D.C. : American Chemical Society, c2002-
MeSH Terms:
Software* , Proteomics*/methods, Mass Spectrometry ; Metabolomics ; Machine Learning
Grant Information:
2152526 United Kingdom Biotechnology and Biological Sciences Research Council; R03 OD034493 United States OD NIH HHS
Contributed Indexing:
Keywords: Python; mass spectrometry; metabolomics; open source; proteomics
Entry Date(s):
Date Created: 20230123 Date Completed: 20230206 Latest Revision: 20230228
Update Code:
20250114
DOI:
10.1021/acs.jproteome.2c00632
PMID:
36688502
Database:
MEDLINE

Weitere Informationen

spectrum_utils is a Python package for mass spectrometry data processing and visualization. Since its introduction, spectrum_utils has grown into a fundamental software solution that powers various applications in proteomics and metabolomics, ranging from spectrum preprocessing prior to spectrum identification and machine learning applications to spectrum plotting from online data repositories and assisting data analysis tasks for dozens of other projects. Here, we present updates to spectrum_utils, which include new functionality to integrate mass spectrometry community data standards, enhanced mass spectral data processing, and unified mass spectral data visualization in Python. spectrum_utils is freely available as open source at https://github.com/bittremieux/spectrum_utils.