Chromatography

The Chromatography app provides functionality to collect, process, and interpret chromatographic data from analytical and biopharma laboratories. This vendor-agnostic solution supports HPLC, UHPLC, GC, and other chromatography instruments, as well as capillary electrophoresis systems (CE-SDS), enabling standardized analysis workflows across your organization for both chromatograms and electropherograms.

Overview

The Chromatography app transforms how laboratories interact with chromatography data by providing real-time visualization, intelligent peak detection, and quality control tracking in a single unified interface. Users can review, validate, and adjust peak integration results while maintaining full audit trails for compliance requirements.

Common Use Cases

The Chromatography app excels in various analytical scenarios:

• Stability Studies — Track degradation products and impurity profiles over time
• Method Transfer and Validation — Ensure consistent results across laboratories and instruments
• QC Batch Release Testing — Streamline routine quality control analyses
• Forced Degradation Studies — Identify and quantify degradation pathways
• Bioanalytical Method Development — Optimize separation conditions and detection parameters
• Process Analytical Technology (PAT) — Monitor critical quality attributes in real-time

The features shown below provide a representative set of capabilities available in the Chromatography app. Your implementation will be tailored to your specific use case, workflows, and analytical requirements.

 

Representative Analysis Workflow

The Chromatography app follows a streamlined workflow for comprehensive data analysis:

Step	Action	Description
1️⃣	Data Selection	Access chromatography runs from Ganymede's data lake
2️⃣	Peak Detection	Automatic identification with machine learning algorithms
3️⃣	Peak Editing	Refine baselines, split peaks, and adjust boundaries
4️⃣	Quality Control	Review batch-to-batch consistency and control charts
5️⃣	Validation	Approve or reject peaks with documented reasoning
6️⃣	Export to ELN	Upload validated results to electronic lab notebook

note

The workflow steps shown are representative. Your implementation will be customized to integrate seamlessly with your existing processes, performing only the relevant steps within the Ganymede app while maintaining your established laboratory workflows.

Key Features

Batch-to-Batch Analysis

Ensure consistency across production batches with longitudinal quality control monitoring:

 

• Comprehensive control charts: Monitor R² values, slope, and intercept trends
• Instrument-specific tracking: Group data by Asset Tag for equipment qualification
• Multi-molecule analysis: Compare performance across different analytes
• Operator filtering: Assess method reproducibility across different users
• Statistical indicators: Min, Max, and Average values for quick assessment

Experiment Summary

Monitor chromatographic method performance across runs with comprehensive quality metrics:

 

• Multiple quality indicators: Track Retention Time, Peak Width, and Peak Asymmetry
• Control charts: Visual identification of trends and outliers
• Statistical process control: Automated calculation of control limits
• Flexible filtering: Focus on specific experiments or molecules of interest
• Outlier detection: Distinguish between normal variation (circles) and outliers (triangles)

Regression Analysis

Build and validate calibration curves with sophisticated regression modeling:

 

• Multiple model types: Power, Linear, and Exponential regression models
• Molecule-specific analysis: Generate separate calibration curves for each analyte
• Interactive data exploration: Hover over points to see Sample ID and Peak Area values
• Residuals analysis: Histogram visualization for assessing model fit quality
• Flexible scaling: Log-axis transformation for wide concentration ranges

Interactive Chromatogram Analysis

The main chromatogram view provides comprehensive visualization and interactive tools for refining peak detection and integration:

• Real-time peak visualization with color-coded peak areas for easy identification
• Dynamic metadata display showing Asset Tag, Instrument Type, and Operator information
• Flexible selection controls for experiments and individual chromatograms
• Detailed peak table displaying peak names, retention times, heights, and integrated areas

Edit Baseline

Adjust baseline correction to improve peak integration accuracy. The interface provides:

• Interactive baseline drawing tools
• Commit Baseline to save adjustments
• Clear Line to remove temporary edits
• Reset Data to restore original baseline

Split Peak

Divide overlapping or shouldered peaks for accurate quantitation of co-eluting compounds. The following video demonstrates the split peak functionality in action:

 

Update Boundaries

Fine-tune peak integration start and end points to ensure accurate area calculations.

 

Add Peak

Manually identify peaks that automated detection may have missed, particularly for low-abundance analytes.

Remove Peak

Eliminate false positive detections from noise or system peaks.

All changes can be staged for review before committing, and the Upload to ELN button enables seamless integration with electronic laboratory notebooks.

Data Types Analyzed

The Chromatography app processes and manages multiple types of analytical data:

Raw Signal and Chromatogram Data

• Detector signal intensity vs. time — the chromatogram itself from UV, MS, RID, FLD detectors
• Baseline signal — noise, drift, and background correction data
• Integration results — automatically or manually defined peak boundaries
• Retention time (RT) — time taken for each analyte to elute
• Peak area and height — proportional to analyte concentration
• Signal-to-noise ratio (S/N) — used for quantitation limits

Processed and Derived Data

• Concentrations and quantities based on calibration curves
• Relative retention times (RRTs) for method comparison
• Resolution (Rs) and tailing factors for peak shape assessment
• Percent area or composition — for purity and related substances testing
• Method validation metrics — accuracy, precision, linearity, LOD/LOQ
• Derived chromatograms — overlay plots, averaged runs, normalized signals

Calibration and Reference Data

• Calibration standards and standard curves for quantitative accuracy
• Internal standard ratios for normalization
• System suitability parameters (SST) — retention time repeatability, peak symmetry
• Instrument response factors and dilution factors

Sample and Metadata

• Sample identifiers (batch, lot, vial, sequence position)
• Injection metadata — sample set, sequence number, operator, timestamp
• Acquisition conditions — column ID, solvent lot, system pressure profile
• Project or study linkage for LIMS integration

Data Integration

The Chromatography app seamlessly integrates with Ganymede's data infrastructure:

• Direct data lake connection: Access all chromatography data types stored in Ganymede tables
• Real-time updates: Automatically incorporate new detector signals, calibration data, and sample metadata from completed Flows
• Persistent annotations: Save peak adjustments, integration changes, and user comments for future reference
• Cross-platform compatibility: Import raw data files from various vendors (Waters .ARW, Agilent .D, Thermo .RAW)
• LIMS connectivity: Link sample information and results for seamless lab workflows
• Audit trail maintenance: Track all data processing events for 21 CFR Part 11 compliance

Workflow Benefits

Implementing the Chromatography app in your laboratory workflows provides significant advantages:

• Reduced review time: Streamline manual chromatography data review processes
• Improved consistency: Standardize peak integration methods across all analysts
• Enhanced traceability: Maintain complete audit trails of all data adjustments
• Better collaboration: Enable remote teams to review and validate chromatography data
• Proactive quality control: Identify method drift before it impacts results
• Regulatory compliance: Support 21 CFR Part 11 requirements with comprehensive logging

Learn More

The Chromatography app transforms chromatography data analysis from a time-consuming manual process into an efficient, standardized workflow. To explore how the Chromatography app can be tailored to your specific analytical needs, contact your Ganymede representative or our sales team to learn more.