MassDash:一个基于Web的仪表板,用于数据独立获取质谱仪可视化
Justin C Sing1,2, Joshua Charkow1,2, Mohammed AlHigaylan1,2
1Donnelly Centre for Cellular and Biomolecular Research, University of Toronto, Toronto, Ontario M5S 3E1, Canada.
Journal of proteome research
|April 29, 2024
概括
MassDash是用于可视化和验证数据独立获取 (DIA) 质谱数据的新软件. 它允许在个人电脑上交互比较各种自动化工具的结果.
科学领域:
- 蛋白质组学是指蛋白质组学.
- 计算生物学 计算生物学
- 数据可视化 数据可视化
背景情况:
- 数据独立获取 (DIA) 质谱产生复杂的数据集,需要强大的验证.
- 越来越多的DIA分析工具需要有效的方法来进行结果比较和质量控制.
研究的目的:
- 介绍MassDash,这是一款用于可视化和验证DIA质谱数据的新型跨平台软件.
- 为了使多个自动化DIA分析工具的结果能够交互比较.
主要方法:
- MassDash提供了一个基于Web的界面和Python包,用于交互式可视化.
- 它在飞行中处理,以便在多个运行中同时可视化.
- 支持多维可视化,包括保留时间,离子流动性,m/z和强度.
主要成果:
- 马斯达什 (MassDash) 便于比较诸如OpenSwath,DIA-NN和dreamDIA等流行的DIA工具的功能和结果.
- 在个人电脑上数十次运行中实现的交互可视化.
- 通过多维数据探索提供额外的见解.
结论:
- MassDash 增强了自动 DIA 质谱软件的验证过程.
- 它的模块化框架支持开发新的峰值选择算法.
- 该软件是开源的,可以免费使用,促进更广泛的采用和开发.
相关概念视频
Tandem Mass Spectrometry
984
Tandem mass spectrometry is a technique that uses multiple mass analyzers in series to obtain a higher selectivity and signal-to-noise ratio for the analyte. Instruments with multiple analyzers separated by an interaction cell enable secondary fragmentation and selected study of the fragment ions.
Secondary fragmentations occur in the interaction cell and can be induced by various factors. Fragmentation induced by collision with inert gases, such as N2, Ar, He, etc., is called collision-induced...
Secondary fragmentations occur in the interaction cell and can be induced by various factors. Fragmentation induced by collision with inert gases, such as N2, Ar, He, etc., is called collision-induced...
984
Mass Spectrometers
5.4K
This lesson details the instrumentation of a mass spectrometer—a physical instrument to perform mass spectrometry on analyte molecules and record the characteristic mass spectra. This is achieved via three chief functions:
5.4K
Matrix-Assisted Laser Desorption Ionization (MALDI)
308
Matrix-assisted laser desorption ionization (MALDI) is a powerful analytical technique used in mass spectrometry. It enables the identification and characterization of various biomolecules, including proteins, peptides, nucleic acids, and carbohydrates. MALDI spectrometry is widely employed in biological and medical research, as well as in fields like pharmacology and biochemistry.
The analyte of interest, a biomolecule or a mixture of biomolecules, is mixed with a suitable matrix material. The...
The analyte of interest, a biomolecule or a mixture of biomolecules, is mixed with a suitable matrix material. The...
308
Mass Analyzers: Overview
661
The mass analyzer is a crucial component of the mass spectrometer. In the ionization chamber, the vaporized sample is bombarded with a high-energy electron beam to generate a radical cation and further fragment into neutral molecules, radicals, and cations. A series of negatively charged accelerator plates accelerate the cations into the mass analyzer. The mass analyzer separates ions according to their mass-to-charge (m/z) ratios and then directs them to the detector. The common types of mass...
661
Mass Spectrum
1.9K
A mass spectrum is the graphical representation of the relative abundance of the charged fragments in an analyte plotted against their mass-to-charge ratio (m/z). The plot's x axis represents the ratio of the mass of the charged fragment to the elementary charge it carries. The y axis of the plot represents the relative abundance of each charged species. The relative abundance is calculated from the signal intensity of each charged species recorded at the detector. The most intense signal...
1.9K
Peptide Identification Using Tandem Mass Spectrometry
6.4K
Tandem mass spectrometry, also known as MS/MS or MS2, is an analytical technique that employs two mass analyzers. Essentially it is a series of mass spectrometers that helps isolate a particular biomolecule and then helps study its chemical properties.
This technique helps gather information regarding the protein from which the peptide was obtained and to study the peptides’ amino acid sequence. Identifying peptides from a complex mixture is an important component of the growing field of...
This technique helps gather information regarding the protein from which the peptide was obtained and to study the peptides’ amino acid sequence. Identifying peptides from a complex mixture is an important component of the growing field of...
6.4K


