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Proteomics

Mass spectrometry and protein analysis agent

lobster-proteomics
FreeIntermediate

Mass spectrometry analysis: protein quantification, differential abundance, and PTM detection

Input
MaxQuantDIA-NNSpectronautFragPipeCSV
Output
Protein AbundancesDE ProteinsPTM SitesVolcano Plots
Agents (3)
└── proteomics_expertMS data analysis and protein quantification
├── proteomics_de_analysis_expertDifferential expression analysis
└── biomarker_discovery_expertBiomarker discovery and survival analysis
pip install lobster-proteomics

Agents

proteomics_expert

Parent orchestrator agent for proteomics analysis. Handles QC, preprocessing, and normalization directly, while delegating downstream analysis to specialized sub-agents.

Capabilities:

  • MS data loading and preprocessing
  • Protein quantification (LFQ, TMT, iTRAQ)
  • Platform auto-detection (mass spectrometry vs affinity)
  • Quality control with platform-specific metrics
  • Normalization (median/log2 for MS, quantile for affinity)
  • Pattern analysis with PCA and clustering
  • Delegates DE analysis to proteomics_de_analysis_expert
  • Delegates biomarker discovery to biomarker_discovery_expert

proteomics_de_analysis_expert

Sub-agent for differential expression analysis, invoked by proteomics_expert.

Capabilities:

  • Differential protein expression between groups (7 statistical methods)
  • Time course analysis for longitudinal studies
  • Protein-target correlation analysis (Pearson, Spearman, Kendall)
  • Platform-aware fold change thresholds (1.5x MS, 1.2x affinity)
  • Multiple testing correction (Benjamini-Hochberg, Bonferroni)

biomarker_discovery_expert

Sub-agent for network analysis and survival-based biomarker identification, invoked by proteomics_expert.

Capabilities:

  • WGCNA-style co-expression network analysis
  • Module eigengene computation and trait correlation
  • Cox proportional hazards regression
  • Kaplan-Meier survival analysis with log-rank tests
  • Biomarker candidate ranking

Example Workflows

Differential Protein Analysis

User: Analyze my proteomics data and find differentially
      abundant proteins between conditions

[proteomics_expert → proteomics_de_analysis_expert]
- Loads MS quantification data (MaxQuant, DIA-NN)
- Normalizes protein abundances
- Delegates to proteomics_de_analysis_expert for differential analysis
- Generates volcano plot
- Reports top differentially abundant proteins

PTM Analysis

User: Identify phosphorylation changes in my dataset

[proteomics_expert]
- Filters for phosphopeptides
- Normalizes phosphosite intensities
- Calculates differential phosphorylation
- Maps sites to protein domains
- Reports kinase motif enrichment

Protein Identification

User: What proteins were identified in my MS run?

[proteomics_expert]
- Summarizes identified proteins
- Reports coverage and peptide counts
- Shows intensity distribution
- Highlights high-confidence identifications

Multi-Omics Integration

proteomics_expert can integrate with transcriptomics data:

User: Compare protein and mRNA levels for my samples

[proteomics_expert + transcriptomics_expert]
- Matches proteins to transcripts
- Correlates protein/mRNA abundances
- Identifies discordant genes
- Reports post-transcriptional regulation candidates

Integration Workflow

1. Load RNA-seq data (transcriptomics_expert)
2. Load proteomics data (proteomics_expert)
3. Match gene IDs between datasets
4. Calculate correlation (Pearson/Spearman)
5. Identify outliers (high mRNA, low protein)
6. Annotate with pathway enrichment

Supported Data Formats

SoftwareFormatSupport
MaxQuantproteinGroups.txtFull
DIA-NNReport.tsvFull
SpectronautReportFull
FragPipecombined_protein.tsvFull
GenericCSV/TSV matrixFull

Services

lobster-proteomics includes domain-specific services bundled with the package:

ServicePurpose
ProteomicsAnalysisServiceCore proteomics analysis pipeline
ProteomicsDifferentialServiceDifferential abundance analysis
ProteomicsPreprocessingServiceData normalization and imputation
ProteomicsQualityServiceQuality control and filtering
ProteomicsVisualizationServiceProteomics-specific visualizations
ProteomicsSurvivalServiceSurvival analysis with protein markers
WGCNALiteServiceProtein co-expression network analysis

Data Parsers

ParserFormat
MaxQuantParserMaxQuant proteinGroups.txt
DIANNParserDIA-NN Report.tsv
SpectronautParserSpectronaut output
OlinkParserOlink NPX data

Services and parsers are installed automatically with the agent package.

Dependencies

lobster-proteomics requires proteomics analysis libraries:

LibraryPurpose
pandasData manipulation
numpyNumerical computations
scipyStatistical analysis
scikit-learnMachine learning and normalization
statsmodelsStatistical modeling

These are installed automatically with the package.

Sub-Agent Architecture

proteomics_expert (supervisor-accessible)
├── proteomics_de_analysis_expert (sub-agent, not directly accessible)
└── biomarker_discovery_expert (sub-agent, not directly accessible)

The proteomics_expert handles QC, preprocessing, normalization, and pattern analysis directly. When the user requests differential expression, time course, or correlation analysis, it delegates to proteomics_de_analysis_expert. For network analysis (WGCNA) and survival analysis, it delegates to biomarker_discovery_expert.

Configuration

# .lobster_workspace/config.toml
enabled = ["proteomics_expert"]

Access

lobster-proteomics is free and open source. Install and use without any license or activation.

Quantification Methods

MethodDescriptionUse Case
LFQLabel-free quantificationMost common, no labeling
TMTTandem mass tagsMultiplexed samples
iTRAQIsobaric tagsMultiplexed samples
SILACStable isotope labelingMetabolic labeling

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