Spectronaut 15 带着众多性能改进、功能更新于6月15日晚正式发布。在新一代深度学习算法的加持下,DIA数据分析的性能和DDA的差距进一步扩大。


新版本详细介绍视频(中文校正版):

视频内容请通过页面中的“核对公众号原文”观看。

Mann课题组单细胞DIAPASEF介绍(中文自动翻译)及Q&A:

视频内容请通过页面中的“核对公众号原文”观看。

Spectronaut 15 主要更新内容如下

  • 定性能力提升: 谱图库DIA和directDIA结果均有明显提升

  • 定量改进:整合MaxLFQ算法,提升定量准确性

  • 全面的PTM分析功能:PTM位点分析全面升级,你想要的都有了

  • 改善用户体验:增加大量DIA数据可视化功能

  • 深度学习:改进机器学习算法显著提升免疫多肽和离子淌度数据分析能力



定性能力提升

相对于Spectronaut14来说,新版本在显著提升了DIA-PASEF数据的定性能力,基于谱图库或directDIA均有15-30%的提升。非DIA-PASEF数据实现了5%-20%的提升。

提升灵敏度的同时,SN15引入基于单个run的FDR控制算法,能够大显著改进FDR的准确性同时不牺牲灵敏度。

定量改进

DIA分析的核心痛点是定量的准确性。Spectronaut15中加入了MaxLFQ算法,在CV不变的情况下,进一步提升了可定量的母离子比例。



全面的PTM分析功能

PTM定量分析,位点置信度及位点定量分析是目前蛋白质组学中的核心关切点,而大部分分析软件都依赖于研究者自行进行位点拆分、定量和解读。

SN15的PTM专属分析流程为您带来一键式的位点置信度、定量、差异分析功能,同时全部支持可视化查看,为您的修饰定量插上翅膀。

相关详细介绍可以参考官方简介视频:

视频内容请通过页面中的“核对公众号原文”观看。

DIA数据可视化改进

对于商业化数据分析软件来说,可视化界面的使用体验是其相对于免费软件的重要优势之一。

在SN15中,我们加入了全新的以蛋白为核心的结果查看、差异展示和离子淌度可视化界面。

详细用户界面改进参见官方视频介绍:

视频内容请通过页面中的“核对公众号原文”观看。


Spectronaut用户请连接上互联网后点击About界面自行更新。

如需进一步帮助欢迎和我们联系。


详细更新日志:

More Identifications 

  • Improved identification with new scores, especially for short gradients

  • Up to 35% more precursor identifications for directDIA with diaPASEF

  • Up to 10% more precursor identifications for directDIA in general

  • Up to 30% more precursor identifications for short gradient DIA analysis with library

  • Up to 10% more precursor identifications for DIA analysis with library in general

Accurate Quantification

  • Improved default settings for quantification

  • New MaxLFQ based protein quantification

  • Up to 15% more protein identifications with CVs below 10% in controlled quantitative experiments

Improved Ion Mobility Support 

  • Ion Mobilogram visualization for dia-PASEF

  • Ion Mobilogram based manual peak refinement

  • Up to 30% faster processing of dia-PASEF data

  • Added optimal support for high-sensitive py5 dia-PASEF method 

General DIA Analysis

  • New Run-wise protein FDR calculation and filtering

  • New peptide posterior error probability (PEP) filtering

  • Improved flexibility for directDIA search settings

  • Improved multi-channel quantity summarization

  • Command line support for SNECombine workflow

  • New “Method Evaluation” workflow with directDIA

Comprehensive PTM Analysis

  • Site collapse calculation

  • Site regulation analysis

  • Modification specific normalization filter for enrichment workflows

  • New PTM site report

Pulsar Database Search Engine

  • Improved performance for large protein databases (> 2 GB) with Pulsar

  • Improved identification and performance for unspecific searches

Deep-learning Augmented Improvements

  • Prediction for ion mobility (1/K0) during library generation

  • Improved fragment prediction for unspecific peptides

New Post Analysis Features

  • Added PCA analysis

  • Added custom selection for protein rank plot

  • Added custom selection for volcano plots

  • New PTM Analysis node

Improved User Experience and Visualization

  • Improved Protein Coverage plot

    • PTM support

    • Peptide tooltip and highlighting

  • New sub-perspective “Protein Grid View” in the analysis perspective

  • Improved XIC Alignment plots with support for unlimited number of runs

  • Detachable perspective and plots for side-by-side visualization

  • Improved XIC grid overview plots

  • One-Click tree navigation in plots

  • Improved plot and tree filter selection

  • Quick-Action bar for analysis perspective

  • Improved warning messages with actionable links

  • Improved UI for analysis log

  • Updated Analysis Summary plot for easier access

Other Changes

  • Report Perspective Changes

    • New PTM site level report when performing PTM localizationPage

  • DIA Analysis Settings Changes

    • Default row filtering for quantification changed from Q-value to Q-value Sparse

    • Default quantification strategy changed from Quant 2.0 to Auto, where it will use MaxLFQ if analyzing less than 500 runs

    • Default normalization strategy changed from Global Normalization to Auto, where it will use Local Normalization if analyzing less than 500 runs

    • New PTM workflow node in the setting

  • directDIA Analysis Settings Changes:

    • New Method Evaluation setting in directDIA settings → Workflow → Method Evaluation

    • Distinguish between Pulsar and DIA analysis settings for directDIA for more flexibility


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