diff --git a/docs/pages/QC-tools.md b/docs/pages/QC-tools.md new file mode 100644 index 0000000..f9ef737 --- /dev/null +++ b/docs/pages/QC-tools.md @@ -0,0 +1,1053 @@ +1. Tool name: iMonDB + +Description: Tool suite to automatically extract, store and visualize mass spectrometer instrument parameters from raw data files, particularly for Thermo instruments + +Repository/Link: https://github.com/bittremieux/iMonDB + +Publication Year: 2015 + +Active Development: No + +Platform/Language: Java + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): No + +Metabolomics: No + +ID-based Metrics: No + +ID-free Metrics: Yes + +mzQC Support: No + +Real-time Monitoring: Yes + +Key Features: Extracts instrument parameters; Monitors hardware performance; Database storage + +--- + +2. Tool name: MsQuality + +Description: Interoperable open-source R/Bioconductor package for calculation of standardized quality metrics, agnostic to underlying technology (proteomics, metabolomics, lipidomics) + +Repository/Link: https://github.com/tnaake/MsQuality and https://bioconductor.org/packages/release/bioc/html/MsQuality.html + +Publication Year: 2023 + +Active Development: Yes + +Platform/Language: R/Bioconductor + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): Limited + +Metabolomics: Yes + +ID-based Metrics: Partial + +ID-free Metrics: Yes + +mzQC Support: No (planned) + +Real-time Monitoring: No + +Key Features: Multi-omics support; Standardized metrics; Low memory footprint; Multiple input formats + +--- + +3. Tool name: MSstatsQC + +Description: R/Bioconductor package for longitudinal system suitability monitoring and quality control, initially for targeted SRM/MRM experiments, extended to DDA and DIA + +Repository/Link: https://github.com/eralpdogu/MSstatsQC and https://www.bioconductor.org/packages/release/bioc/html/MSstatsQC.html + +Publication Year: 2017 (v2: 2018) + +Active Development: Yes + +Platform/Language: R/Bioconductor + +DDA: Yes + +DIA: Yes (v2.0) + +Targeted (SRM/MRM/PRM): Yes + +Metabolomics: Limited + +ID-based Metrics: Yes + +ID-free Metrics: Partial + +mzQC Support: No + +Real-time Monitoring: Yes + +Key Features: Statistical process control; Control charts; Longitudinal monitoring; Change point analysis + +--- + +4. Tool name: PeakQC + +Description: Omics-agnostic automated quality control software for mass spectrometry data, supporting proteomics, metabolomics, and lipidomics with ion mobility spectrometry + +Repository/Link: https://github.com/pnnl/IonToolPack + +Publication Year: 2024 + +Active Development: Yes + +Platform/Language: Python (standalone) + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): Yes + +Metabolomics: Yes + +ID-based Metrics: Limited + +ID-free Metrics: Yes + +mzQC Support: No + +Real-time Monitoring: No + +Key Features: Automated outlier detection; Ion mobility support; Machine learning-based; Multi-omics + +--- + +5. Tool name: pmartR + +Description: R package for quality control, exploratory data analysis, and statistical analysis of MS data, robust to missing data for proteomics, metabolomics, and lipidomics + +Repository/Link: https://github.com/pmartR/pmartR + +Publication Year: 2019 + +Active Development: Yes + +Platform/Language: R + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): Limited + +Metabolomics: Yes + +ID-based Metrics: Yes + +ID-free Metrics: Limited + +mzQC Support: No + +Real-time Monitoring: No + +Key Features: Missing data handling; Statistical analysis; Filtering and normalization; Multi-omics + +--- + +6. Tool name: PTXQC + +Description: R-based QC pipeline for bottom-up LC-MS data from MaxQuant, creates comprehensive QC reports with automated scoring and heatmap visualizations + +Repository/Link: https://github.com/cbielow/PTXQC + +Publication Year: 2016 + +Active Development: Yes + +Platform/Language: R + +DDA: Yes + +DIA: Limited + +Targeted (SRM/MRM/PRM): No + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Limited + +mzQC Support: Partial + +Real-time Monitoring: No + +Key Features: MaxQuant integration; Automated scoring; Comprehensive reports; Heat map visualization + +--- + +7. Tool name: QC4Metabolomics + +Description: Real-time and retrospective quality control monitoring software for untargeted metabolomics data with web dashboard interface + +Repository/Link: https://github.com/stanstrup/QC4Metabolomics + +Publication Year: 2024 + +Active Development: Yes + +Platform/Language: R/Shiny + +DDA: Limited + +DIA: Limited + +Targeted (SRM/MRM/PRM): Limited + +Metabolomics: Yes + +ID-based Metrics: Limited + +ID-free Metrics: Yes + +mzQC Support: No + +Real-time Monitoring: Yes + +Key Features: Real-time monitoring; User-defined compounds; Contaminant tracking; Web dashboard + +--- + +8. Tool name: QCCalculator + +Description: OpenMS utility that calculates basic quality parameters from mass spectrometry runs and subsequent analysis data + +Repository/Link: https://tools.westgard.com/qccalculator.html + +Publication Year: 2014 + +Active Development: Yes + +Platform/Language: C++ (OpenMS) + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): Limited + +Metabolomics: Yes + +ID-based Metrics: Yes + +ID-free Metrics: Yes + +mzQC Support: Yes (via OpenMS) + +Real-time Monitoring: No + +Key Features: Basic QC metrics; qcML export; OpenMS integration + +--- + +9. Tool name: QCactus + +Description: Tool for DIA-PASEF data quality control from Bruker timsTOF instruments + +Repository/Link: https://github.com/csmc-vaneykjlab/qcactus + +Publication Year: 2023 + +Active Development: Yes + +Platform/Language: Python + +DDA: Limited + +DIA: Yes + +Targeted (SRM/MRM/PRM): No + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Limited + +mzQC Support: No + +Real-time Monitoring: No + +Key Features: timsTOF specific; DIA-PASEF support + +--- + +10. Tool name: QCeltis + +Description: Python package for automated QC analysis across proteomics workflow, particularly for large-scale DIA experiments + +Repository/Link: https://github.com/csmc-vaneykjlab/Qceltis + +Publication Year: 2025 + +Active Development: Yes + +Platform/Language: Python + +DDA: Limited + +DIA: Yes + +Targeted (SRM/MRM/PRM): No + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Limited + +mzQC Support: No + +Real-time Monitoring: No + +Key Features: DIA-focused; Batch visualization; Interactive plots + +--- + +11. Tool name: QCloud/QCloud2 + +Description: Cloud-based quality control system for automatic data collection, processing, and longitudinal instrument evaluation with web interface + +Repository/Link: https://github.com/proteomicsunitcrg/Qcloud and https://github.com/proteomicsunitcrg/qcloud2-pipeline + +Publication Year: 2018 (v2: 2021) + +Active Development: Yes + +Platform/Language: Web-based/Cloud + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): Yes + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Yes + +mzQC Support: No + +Real-time Monitoring: Yes + +Key Features: Cloud-based; Multi-instrument support; Automated processing; Web interface + +--- + +12. Tool name: QuaMeter + +Description: Multivendor performance metrics tool for LC-MS/MS proteomics, provides ID-based and ID-free quality metrics + +Repository/Link: https://pubs.acs.org/doi/10.1021/ac300629p and part of https://proteowizard.sourceforge.io/projects.html + +Publication Year: 2012 + +Active Development: Limited + +Platform/Language: C++/Command-line + +DDA: Yes + +DIA: Limited + +Targeted (SRM/MRM/PRM): Limited + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Yes + +mzQC Support: No + +Real-time Monitoring: No + +Key Features: Multivendor support; ID-based and ID-free metrics; Widely cited reference tool + +--- + +13. Tool name: Rapid QC-MS + +Description: Automated interactive dashboard for real-time assessment of LC-MS/MS data quality using internal, external, and reference standards + +Repository/Link: https://github.com/czbiohub-sf/Rapid-QC-MS + +Publication Year: 2024 + +Active Development: Yes + +Platform/Language: Python/Web dashboard + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): Yes + +Metabolomics: Yes + +ID-based Metrics: Yes + +ID-free Metrics: Yes + +mzQC Support: No + +Real-time Monitoring: Yes + +Key Features: Real-time dashboard; Multiple standard types; Interactive visualizations + +--- + +14. Tool name: SIMPATIQCO + +Description: Server-based software suite for monitoring LC-MS performance metrics on Orbitrap instruments with web-based visualization + +Repository/Link: http://ms.imp.ac.at/?goto=simpatiqco + +Publication Year: 2013 + +Active Development: Limited + +Platform/Language: Web-based (Thermo only) + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): No + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Yes + +mzQC Support: Yes + +Real-time Monitoring: Yes + +Key Features: Orbitrap-specific; Web visualization; Automated uploads; Longitudinal tracking + +--- + +15. Tool name: Yamato + +Description: SWATH-QC metrics tool for monitoring data-independent acquisition (DIA/SWATH) data quality, focusing on peptide-level quality control metrics + +Repository/Link: https://github.com/PaulBrack/Yamato + +Publication Year: 2020 + +Active Development: Yes + +Platform/Language: C#/.NET + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): Yes + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Yes + +mzQC Support: Yes + +Real-time Monitoring: No + +Key Features: Fast forward-only XML parsing; mzQC serialization; Transition library deserialization (Thermo, Skyline, TraML); SwaMe and Prognosticator metric libraries + +--- + +16. Tool name: QC-ART + +Description: Real-time quality control assessment tool for MS-based proteomics data to dynamically flag instrument or sample quality issues + +Repository/Link: https://pmc.ncbi.nlm.nih.gov/articles/PMC6126382/ + +Publication Year: 2018 + +Active Development: Limited + +Platform/Language: Python/R + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): Limited + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Limited + +mzQC Support: No + +Real-time Monitoring: Yes + +Key Features: Real-time flagging; Machine learning; Drift detection + +--- + +17. Tool name: QuiC + +Description: LC-MS proteomics monitoring software from Biognosys that generates real-time quality control readouts with iRT peptides + +Repository/Link: https://biognosys.com/software/quic/ and https://biognosys.com/resources/quic-manual/ + +Publication Year: 2020 + +Active Development: Yes + +Platform/Language: Commercial software + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): Yes + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Yes + +mzQC Support: No + +Real-time Monitoring: Yes + +Key Features: iRT peptides; Commercial support; Integration with Biognosys products + +--- + +18. Tool name: pmultiqc + +Description: Quality control tool integrated in quantms pipeline for DDA and DIA proteomics experiments + +Repository/Link: https://github.com/bigbio/pmultiqc + +Publication Year: 2023 + +Active Development: Yes + +Platform/Language: Python (Nextflow) + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): No + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Limited + +mzQC Support: No + +Real-time Monitoring: No + +Key Features: Nextflow integration; Multi-platform + +--- + +19. Tool name: Metriculator + +Description: Web-based software for long-term storage and visualization of extensive performance metrics based on NIST standards + +Repository/Link: http://github.com/princelab/metriculator + +Publication Year: 2013 + +Active Development: Limited + +Platform/Language: Ruby/Web interface + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): Limited + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Yes + +mzQC Support: No + +Real-time Monitoring: No + +Key Features: NIST metrics; Web interface; Long-term storage; Outlier detection + +--- + +20. Tool name: RawBeans + +Description: Tool for rapid visual HTML-based QC reports focused on monitoring LC-MS system performance within experiments + +Repository/Link: https://bitbucket.org/incpm/prot-qc/downloads + +Publication Year: 2016 + +Active Development: No + +Platform/Language: Standalone + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): No + +Metabolomics: No + +ID-based Metrics: Limited + +ID-free Metrics: Yes + +mzQC Support: No + +Real-time Monitoring: No + +Key Features: Rapid HTML reports; Raw data focus; Visual QC + +--- + +21. Tool name: McQuaC + +Description: Cloud-based quality control system for mass spectrometry with automated data processing and mzQC export + +Repository/Link: https://github.com/mpc-bioinformatics/McQuaC + +Publication Year: Not specified + +Active Development: Yes + +Platform/Language: Python/Web-based + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): No + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Limited + +mzQC Support: In development + +Real-time Monitoring: No + +Key Features: Cloud-based; mzQC in development; Automated processing + +--- + +22. Tool name: ProteoBench + +Description: Open, community-curated web platform for benchmarking and quality control of proteomics data analysis workflows with multiple modules for DDA/DIA quantification + +Repository/Link: https://github.com/Proteobench/ProteoBench + +Publication Year: 2024 + +Active Development: Yes + +Platform/Language: Python/Web-based + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): Limited + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Limited + +mzQC Support: In development + +Real-time Monitoring: No + +Key Features: Community-driven benchmarking; Multiple modules; Public results repository; Multispecies support; Workflow comparison + +--- + +23. Tool name: LFQ_bout + +Description: R-based benchmark analysis software for validation and performance evaluation of LC-MS/MS workflows using hybrid proteome samples + +Repository/Link: https://pubs.acs.org/doi/pdf/10.1021/acs.jproteome.3c00531?ref=article_openPDF + +Publication Year: 2024 + +Active Development: Yes + +Platform/Language: R + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): Limited + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Yes + +mzQC Support: No + +Real-time Monitoring: No + +Key Features: Multispecies benchmarking; Summary statistics; Detects quantification errors; Workflow comparison + +--- + +24. Tool name: LFQbench + +Description: R package computational benchmarking framework for label-free quantitative proteomics using hybrid proteome samples to calculate precision and accuracy metrics + +Repository/Link: https://github.com/IFIproteomics/LFQbench + +Publication Year: 2016 + +Active Development: Limited (last update 2020) + +Platform/Language: R/Bioconductor + +DDA: Yes + +DIA: Limited + +Targeted (SRM/MRM/PRM): No + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Yes + +mzQC Support: No + +Real-time Monitoring: No + +Key Features: Precision and accuracy metrics; Hybrid proteome analysis; Multi-tool comparison; Benchmark framework; ROC curves + +--- + +25. Tool name: AutoQC + +Description: Automated quality control system integrated with Skyline and PanoramaWeb for longitudinal instrument performance monitoring + +Repository/Link: https://skyline.ms/project/home/software/Skyline/begin.view + +Publication Year: 2016 + +Active Development: Yes + +Platform/Language: C#/.NET (Skyline) + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): Yes + +Metabolomics: Limited + +ID-based Metrics: Yes + +ID-free Metrics: Yes + +mzQC Support: No + +Real-time Monitoring: Yes + +Key Features: Vendor-neutral; Multiple acquisition techniques support; Multi-instrument tracking; Automated Skyline and Panorama integration; Statistical process control; Web browser access + +--- + +26. Tool name: MSCohort + +Description: Comprehensive QC system for large-scale urinary proteomics data with 81 metrics for individual experiment and cohort quality evaluation + +Repository/Link: https://github.com/BUAA-LiuLab/MSCohort + +Publication Year: 2025 + +Active Development: Yes + +Platform/Language: Python/Web-based + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): Limited + +Metabolomics: Limited + +ID-based Metrics: Yes + +ID-free Metrics: Yes + +mzQC Support: No + +Real-time Monitoring: No + +Key Features: 81 QC metrics; Integrates metrics from NIST, QuaMeter, DO-MS, RawBeans and others; Intra- and inter-experiment evaluation; Multi-platform comparison + +--- + +27. Tool name: iDIA-QC + +Description: AI-empowered DIA-based quality control tool with machine learning models for automated LC and MS system evaluation + +Repository/Link: https://github.com/guomics-lab/iDIA-QC + +Publication Year: 2025 + +Active Development: Yes + +Platform/Language: Python + +DDA: Limited + +DIA: Yes + +Targeted (SRM/MRM/PRM): No + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Yes + +mzQC Support: No + +Real-time Monitoring: No + +Key Features: AI/ML-based QC; 15 DIA metrics; timsTOF, TripleTOF and Orbitrap support; Automated LC/MS performance prediction; DIA-NN integration; Notification system; HTML longitudinal reports + +--- + +28. Tool name: SProCoP + +Description: Statistical Process Control in Proteomics tool integrated into Skyline for monitoring QC metrics with control charts and Pareto analysis + +Repository/Link: https://skyline.ms/skyts/home/software/Skyline/tools/details.view?name=SProCoP + +Publication Year: 2014 + +Active Development: Limited + +Platform/Language: R (Skyline plugin) + +DDA: Yes + +DIA: Limited + +Targeted (SRM/MRM/PRM): Yes + +Metabolomics: No + +ID-based Metrics: No + +ID-free Metrics: Yes + +mzQC Support: No + +Real-time Monitoring: Yes + +Key Features: Statistical process control charts; Five ID-free metrics; Skyline integration; Real-time monitoring; Multi-peptide tracking; Vendor-neutral dashboard + +--- + +29. Tool name: DO-MS + +Description: Data-driven Optimization of MS methods tool for interactive visualization and optimization of DDA/DIA data + +Repository/Link: https://github.com/SlavovLab/DO-MS + +Publication Year: 2019 (v2.0: 2023) + +Active Development: Yes + +Platform/Language: R/Web dashboard + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): Limited + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Yes + +mzQC Support: No + +Real-time Monitoring: No + +Key Features: Interactive GUI; MaxQuant and DIA-NN support; Bottleneck diagnosis; Parameter optimization; Single-cell and plexDIA support; Modular and extensible + +--- + +30. Tool name: PACOM + +Description: Proteomics Assay COMparator - Java tool for importing, comparing, and visualizing multiple proteomics experiments for data integrity and quality verification + +Repository/Link: https://github.com/smdb21/pacom + +Publication Year: 2018 + +Active Development: Yes + +Platform/Language: Java + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): Limited + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Limited + +mzQC Support: No + +Real-time Monitoring: No + +Key Features: Multi-dataset comparison; Data integration; Rich graphical representations; MIAPE/HUPO-PSI compliant; Multiple search engine support; Java standalone + +--- + +31. Tool name: MQmetrics + +Description: R/Bioconductor package for analyzing quality and reproducibility of MaxQuant proteomics data with comprehensive PDF reports + +Repository/Link: https://github.com/svalvaro/MQmetrics + +Publication Year: 2021 + +Active Development: Yes + +Platform/Language: R/Bioconductor + +DDA: Yes + +DIA: Yes + +Targeted (SRM/MRM/PRM): Limited + +Metabolomics: No + +ID-based Metrics: Yes + +ID-free Metrics: Yes + +mzQC Support: No + +Real-time Monitoring: No + +Key Features: MaxQuant-specific; PDF report generation; iRT peptide tracking; Contamination analysis; Reproducibility assessment; Easy single-function workflow; Bioconductor package + +--- + +32. Tool name: proteoQC + +Description: R/Bioconductor package providing integrated pipeline for MS-based proteomics QC with HTML reports using X!Tandem search + +Repository/Link: https://github.com/wenbostar/proteoQC + +Publication Year: 2014 + +Active Development: Limited + +Platform/Language: R/Bioconductor + +DDA: Yes + +DIA: Limited + +Targeted (SRM/MRM/PRM): No + +Metabolomics: Limited + +ID-based Metrics: Yes + +ID-free Metrics: Yes + +mzQC Support: No + +Real-time Monitoring: No + +Key Features: HTML report generation; X!Tandem integration; iTRAQ/TMT labeling efficiency; Mass accuracy summaries; Separation efficiency plots; Raw-to-report pipeline; Bioconductor package + +--- + +33. Tool name: InfernoRDN + +Description: Windows application with R backend for comprehensive downstream data analysis including normalization, statistics, clustering, and visualization + +Repository/Link: https://github.com/PNNL-Comp-Mass-Spec/InfernoRDN + +Publication Year: 2008, Updated 2021 + +Active Development: Yes + +Platform/Language: Windows/.NET with R + +DDA: Yes + +DIA: Limited + +Targeted (SRM/MRM/PRM): Limited + +Metabolomics: Yes + +ID-based Metrics: Yes + +ID-free Metrics: Limited + +mzQC Support: No + +Real-time Monitoring: No + +Key Features: Comprehensive statistical analysis; Diagnostic plots; Multiple normalization methods; ANOVA and clustering; Heatmaps; Peptide-to-protein rollup diff --git a/docs/pages/QC_Tools.tsv b/docs/pages/QC_Tools.tsv new file mode 100644 index 0000000..521db9b --- /dev/null +++ b/docs/pages/QC_Tools.tsv @@ -0,0 +1,34 @@ +Tool Name Description Repository/Link Publication Year Active Development Platform/Language DDA DIA Targeted (SRM/MRM/PRM) Metabolomics ID-based Metrics ID-free Metrics mzQC Support Real-time Monitoring Key Features +iMonDB "Tool suite to automatically extract, store and visualize mass spectrometer instrument parameters from raw data files, particularly for Thermo instruments" https://github.com/bittremieux/iMonDB 2015 No Java Yes Yes No No No Yes No Yes Extracts instrument parameters; Monitors hardware performance; Database storage +MsQuality "Interoperable open-source R/Bioconductor package for calculation of standardized quality metrics, agnostic to underlying technology (proteomics, metabolomics, lipidomics)" https://github.com/tnaake/MsQuality and https://bioconductor.org/packages/release/bioc/html/MsQuality.html 2023 Yes R/Bioconductor Yes Yes Limited Yes Partial Yes No (planned) No Multi-omics support; Standardized metrics; Low memory footprint; Multiple input formats +MSstatsQC "R/Bioconductor package for longitudinal system suitability monitoring and quality control, initially for targeted SRM/MRM experiments, extended to DDA and DIA" https://github.com/eralpdogu/MSstatsQC and https://www.bioconductor.org/packages/release/bioc/html/MSstatsQC.html 2017 (v2: 2018) Yes R/Bioconductor Yes Yes (v2.0) Yes Limited Yes Partial No Yes Statistical process control; Control charts; Longitudinal monitoring; Change point analysis +PeakQC "Omics-agnostic automated quality control software for mass spectrometry data, supporting proteomics, metabolomics, and lipidomics with ion mobility spectrometry" https://github.com/pnnl/IonToolPack 2024 Yes Python (standalone) Yes Yes Yes Yes Limited Yes No No Automated outlier detection; Ion mobility support; Machine learning-based; Multi-omics +pmartR "R package for quality control, exploratory data analysis, and statistical analysis of MS data, robust to missing data for proteomics, metabolomics, and lipidomics" https://github.com/pmartR/pmartR 2019 Yes R Yes Yes Limited Yes Yes Limited No No Missing data handling; Statistical analysis; Filtering and normalization; Multi-omics +PTXQC "R-based QC pipeline for bottom-up LC-MS data from MaxQuant, creates comprehensive QC reports with automated scoring and heatmap visualizations" https://github.com/cbielow/PTXQC 2016 Yes R Yes Limited No No Yes Limited Partial No MaxQuant integration; Automated scoring; Comprehensive reports; Heat map visualization +QC4Metabolomics Real-time and retrospective quality control monitoring software for untargeted metabolomics data with web dashboard interface https://github.com/stanstrup/QC4Metabolomics 2024 Yes R/Shiny Limited Limited Limited Yes Limited Yes No Yes Real-time monitoring; User-defined compounds; Contaminant tracking; Web dashboard +QCCalculator OpenMS utility that calculates basic quality parameters from mass spectrometry runs and subsequent analysis data https://tools.westgard.com/qccalculator.html 2014 Yes C++ (OpenMS) Yes Yes Limited Yes Yes Yes Yes (via OpenMS) No Basic QC metrics; qcML export; OpenMS integration +QCactus Tool for DIA-PASEF data quality control from Bruker timsTOF instruments https://github.com/csmc-vaneykjlab/qcactus 2023 Yes Python Limited Yes No No Yes Limited No No timsTOF specific; DIA-PASEF support +QCeltis "Python package for automated QC analysis across proteomics workflow, particularly for large-scale DIA experiments" https://github.com/csmc-vaneykjlab/Qceltis 2025 Yes Python Limited Yes No No Yes Limited No No DIA-focused; Batch visualization; Interactive plots +QCloud/QCloud2 "Cloud-based quality control system for automatic data collection, processing, and longitudinal instrument evaluation with web interface" https://github.com/proteomicsunitcrg/Qcloud and https://github.com/proteomicsunitcrg/qcloud2-pipeline 2018 (v2: 2021) Yes Web-based/Cloud Yes Yes Yes No Yes Yes No Yes Cloud-based; Multi-instrument support; Automated processing; Web interface +QuaMeter "Multivendor performance metrics tool for LC-MS/MS proteomics, provides ID-based and ID-free quality metrics" https://pubs.acs.org/doi/10.1021/ac300629p and part of https://proteowizard.sourceforge.io/projects.html 2012 Limited C++/Command-line Yes Limited Limited No Yes Yes No No Multivendor support; ID-based and ID-free metrics; Widely cited reference tool +Rapid QC-MS "Automated interactive dashboard for real-time assessment of LC-MS/MS data quality using internal, external, and reference standards" https://github.com/czbiohub-sf/Rapid-QC-MS 2024 Yes Python/Web dashboard Yes Yes Yes Yes Yes Yes No Yes Real-time dashboard; Multiple standard types; Interactive visualizations +SIMPATIQCO Server-based software suite for monitoring LC-MS performance metrics on Orbitrap instruments with web-based visualization http://ms.imp.ac.at/?goto=simpatiqco 2013 Limited Web-based (Thermo only) Yes Yes No No Yes Yes Yes Yes Orbitrap-specific; Web visualization; Automated uploads; Longitudinal tracking +Yamato "SWATH-QC metrics tool for monitoring data-independent acquisition (DIA/SWATH) data quality, focusing on peptide-level quality control metrics" https://github.com/PaulBrack/Yamato 2020 C#/.NET Yes Yes Yes No Yes Yes Yes No "Fast forward-only XML parsing; mzQC serialization; Transition library deserialization (Thermo, Skyline, TraML); SwaMe and Prognosticator metric libraries" +QC-ART Real-time quality control assessment tool for MS-based proteomics data to dynamically flag instrument or sample quality issues https://pmc.ncbi.nlm.nih.gov/articles/PMC6126382/ 2018 Limited Python/R Yes Yes Limited No Yes Limited No Yes Real-time flagging; Machine learning; Drift detection +QuiC LC-MS proteomics monitoring software from Biognosys that generates real-time quality control readouts with iRT peptides https://biognosys.com/software/quic/ and https://biognosys.com/resources/quic-manual/ 2020 Yes Commercial software Yes Yes Yes No Yes Yes No Yes iRT peptides; Commercial support; Integration with Biognosys products +pmultiqc Quality control tool integrated in quantms pipeline for DDA and DIA proteomics experiments https://github.com/bigbio/pmultiqc 2023 Yes Python (Nextflow) Yes Yes No No Yes Limited No No Nextflow integration; Multi-platform +Metriculator Web-based software for long-term storage and visualization of extensive performance metrics based on NIST standards http://github.com/princelab/metriculator 2013 Limited Ruby/Web interface Yes Yes Limited No Yes Yes No No NIST metrics; Web interface; Long-term storage; Outlier detection +RawBeans Tool for rapid visual HTML-based QC reports focused on monitoring LC-MS system performance within experiments https://bitbucket.org/incpm/prot-qc/downloads 2016 No Standalone Yes Yes No No Limited Yes No No Rapid HTML reports; Raw data focus; Visual QC +McQuaC Cloud-based quality control system for mass spectrometry with automated data processing and mzQC export https://github.com/mpc-bioinformatics/McQuaC - Yes Python/Web-based Yes Yes No No Yes Limited In development No Cloud-based; mzQC in development; Automated processing +ProteoBench "Open, community-curated web platform for benchmarking and quality control of proteomics data analysis workflows with multiple modules for DDA/DIA quantification" https://github.com/Proteobench/ProteoBench 2024 Yes Python/Web-based Yes Yes Limited No Yes Limited In development No Community-driven benchmarking; Multiple modules; Public results repository; Multispecies support; Workflow comparison +LFQ_bout R-based benchmark analysis software for validation and performance evaluation of LC-MS/MS workflows using hybrid proteome samples https://pubs.acs.org/doi/pdf/10.1021/acs.jproteome.3c00531?ref=article_openPDF 2024 Yes R Yes Yes Limited No Yes Yes No No Multispecies benchmarking; Summary statistics; Detects quantification errors; Workflow comparison +LFQbench R package computational benchmarking framework for label-free quantitative proteomics using hybrid proteome samples to calculate precision and accuracy metrics https://github.com/IFIproteomics/LFQbench 2016 Limited (last update 2020) R/Bioconductor Yes Limited No No Yes Yes No No Precision and accuracy metrics; Hybrid proteome analysis; Multi-tool comparison; Benchmark framework; ROC curves +AutoQC Automated quality control system integrated with Skyline and PanoramaWeb for longitudinal instrument performance monitoring. https://skyline.ms/project/home/software/Skyline/begin.view 2016 Yes C#/.NET (Skyline) Yes Yes Yes Limited Yes Yes No Yes Vendor-neutral; Multiple acquisition techniques support; Multi-instrument tracking; Automated Skyline and Panorama integration; Statistical process control; Web browser access +MSCohort Comprehensive QC system for large-scale urinary proteomics data with 81 metrics for individual experiment and cohort quality evaluation https://github.com/BUAA-LiuLab/MSCohort 2025 Yes Python/Web-based Yes Yes Limited Limited Yes Yes No No "81 QC metrics; Integrates metrics from NIST, QuaMeter, DO-MS, RawBeans and others; Intra- and inter-experiment evaluation; Multi-platform comparison" +iDIA-QC AI-empowered DIA-based quality control tool with machine learning models for automated LC and MS system evaluation https://github.com/guomics-lab/iDIA-QC 2025 Yes Python Limited Yes No No Yes Yes No No "AI/ML-based QC; 15 DIA metrics; timsTOF, TripleTOF and Orbitrap support; Automated LC/MS performance prediction; DIA-NN integration; Notification system; HTML longitudinal reports" +SProCoP Statistical Process Control in Proteomics tool integrated into Skyline for monitoring QC metrics with control charts and Pareto analysis https://skyline.ms/skyts/home/software/Skyline/tools/details.view?name=SProCoP 2014 Limited R (Skyline plugin) Yes Limited Yes No No Yes No Yes Statistical process control charts; Five ID-free metrics; Skyline integration; Real-time monitoring; Multi-peptide tracking; Vendor-neutral dashboard +DO-MS Data-driven Optimization of MS methods tool for interactive visualization and optimization of DDA/DIA data https://github.com/SlavovLab/DO-MS 2019 (v2.0: 2023) Yes R/Web dashboard Yes Yes Limited No Yes Yes No No Interactive GUI; MaxQuant and DIA-NN support; Bottleneck diagnosis; Parameter optimization; Single-cell and plexDIA support; Modular and extensible +PACOM "Proteomics Assay COMparator - Java tool for importing, comparing, and visualizing multiple proteomics experiments for data integrity and quality verification" https://github.com/smdb21/pacom 2018 Yes Java Yes Yes Limited No Yes Limited No No Multi-dataset comparison; Data integration; Rich graphical representations; MIAPE/HUPO-PSI compliant; Multiple search engine support; Java standalone +MQmetrics R/Bioconductor package for analyzing quality and reproducibility of MaxQuant proteomics data with comprehensive PDF reports https://github.com/svalvaro/MQmetrics 2021 Yes R/Bioconductor Yes Yes Limited No Yes Yes No No MaxQuant-specific; PDF report generation; iRT peptide tracking; Contamination analysis; Reproducibility assessment; Easy single-function workflow; Bioconductor package +proteoQC R/Bioconductor package providing integrated pipeline for MS-based proteomics QC with HTML reports using X!Tandem search https://github.com/wenbostar/proteoQC 2014 Limited R/Bioconductor Yes Limited No Limited Yes Yes No No HTML report generation; X!Tandem integration; iTRAQ/TMT labeling efficiency; Mass accuracy summaries; Separation efficiency plots; Raw-to-report pipeline; Bioconductor package +InfernoRDN "Windows application with R backend for comprehensive downstream data analysis including normalization, statistics, clustering, and visualization" https://github.com/PNNL-Comp-Mass-Spec/InfernoRDN "2008, Updated 2021" Yes Windows/.NET with R Yes Limited Limited Yes Yes Limited No No Comprehensive statistical analysis; Diagnostic plots; Multiple normalization methods; ANOVA and clustering; Heatmaps; Peptide-to-protein rollup