Documentation/Nodes/Chromatography

Chromatography Nodes

Comprehensive chromatography data analysis toolkit with 6 specialized nodes for reading, processing, analyzing, and visualizing chromatogram data.

Node Reference

Detailed documentation for each chromatography node available in Bioshift.

Chromatography Reader

Read chromatography data from various file formats

Type: chrom_readerCategory: Data Input

Key Features

  • •Multiple format support (CSV, TXT, proprietary formats)
  • •Auto-detection of chromatography type
  • •Metadata extraction
  • •Quality control checks
  • •Batch processing support

Input Ports

file_pathstring

Chromatography data file

formatstring

File format (auto-detect if not specified)

Output Ports

chromatogramdata

Raw chromatogram data

metadatadata

File and instrument metadata

peaksdata

Automatically detected peaks

Chromatogram Smoothing

Apply various smoothing algorithms to chromatogram data

Type: chrom_smoothingCategory: Data Processing

Key Features

  • •Multiple smoothing algorithms (Savitzky-Golay, moving average)
  • •Adaptive smoothing
  • •Noise level estimation
  • •Peak preservation
  • •Parameter optimization

Input Ports

chromatogramdata

Input chromatogram data

methodstring

Smoothing method

Output Ports

smoothed_datadata

Smoothed chromatogram

parametersdata

Smoothing parameters used

noise_reductiondata

Noise reduction metrics

Baseline Correction

Correct baseline drift in chromatogram data

Type: chrom_baselineCategory: Data Processing

Key Features

  • •Automatic baseline detection
  • •Manual baseline editing
  • •Drift correction algorithms
  • •Asymmetric least squares
  • •Polynomial fitting

Input Ports

chromatogramdata

Input chromatogram data

methodstring

Baseline correction method

Output Ports

corrected_datadata

Baseline-corrected chromatogram

baselinedata

Estimated baseline

correction_infodata

Correction method details

Peak Detection

Detect and characterize peaks in chromatogram data

Type: chrom_peak_detectCategory: Peak Analysis

Key Features

  • •Multiple detection algorithms
  • •Peak width estimation
  • •Height and area calculation
  • •Signal-to-noise ratio
  • •Peak quality assessment

Input Ports

chromatogramdata

Input chromatogram data

parametersdata

Peak detection parameters

Output Ports

peaksdata

Detected peaks with properties

peak_tabledata

Peak summary table

detection_infodata

Detection algorithm details

Peak Integration

Integrate peaks to calculate quantitative information

Type: chrom_integrateCategory: Peak Analysis

Key Features

  • •Multiple integration methods
  • •Baseline subtraction
  • •Manual integration editing
  • •Calibration curve support
  • •Limit of detection calculation

Input Ports

peaksdata

Detected peaks

chromatogramdata

Original chromatogram data

Output Ports

integrated_peaksdata

Integrated peak data

quantificationdata

Quantitative results

integration_infodata

Integration method details

Chromatogram Viewer

Interactive visualization of chromatogram data

Type: chrom_viewerCategory: Visualization

Key Features

  • •Interactive zoom and pan
  • •Peak annotation
  • •Multiple overlay support
  • •Export capabilities
  • •Real-time data inspection

Input Ports

chromatogramdata

Chromatogram data to visualize

peaksdata

Peak data (optional)

Output Ports

plotimage

Chromatogram visualization

interactive_viewhtml

Interactive viewer

Workflow Examples

Common chromatography analysis workflows using these specialized nodes.

Basic Chromatogram Analysis

Complete workflow for analyzing a single chromatogram

  1. 1Load chromatogram data with Chrom Reader
  2. 2Apply baseline correction
  3. 3Smooth noisy data
  4. 4Detect peaks automatically
  5. 5Integrate peaks for quantification
  6. 6Generate analysis report

Batch Processing Pipeline

Process multiple chromatograms with consistent parameters

  1. 1Set up batch processing workflow
  2. 2Load multiple chromatogram files
  3. 3Apply consistent baseline correction
  4. 4Use same peak detection parameters
  5. 5Standardize integration settings
  6. 6Generate comparative analysis

Method Development

Optimize chromatography parameters using data analysis

  1. 1Load test chromatograms
  2. 2Compare different smoothing methods
  3. 3Test various baseline correction algorithms
  4. 4Optimize peak detection parameters
  5. 5Validate integration accuracy
  6. 6Document optimized method

Supported Chromatography Types

The chromatography nodes support various analytical techniques and data formats.

HPLC

High Performance Liquid Chromatography

GC

Gas Chromatography

LC-MS

Liquid Chromatography Mass Spectrometry

GC-MS

Gas Chromatography Mass Spectrometry

CE

Capillary Electrophoresis

TLC

Thin Layer Chromatography

IC

Ion Chromatography

SEC

Size Exclusion Chromatography