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Chromatography Toolbox (v0.1.51) provides command line data processing methods for chromatography and mass spectrometry data in MATLAB.

Table of Contents

1. Initialize
2. Import
3. Baseline
4. Smooth
5. Integrate
6. Visualize

Initialize

Initialize the Chromatography class to use any of the following methods: import, centroid, baseline, smooth, integrate, visualize.

obj = Chromatography

Import

Import raw data into the MATLAB workspace with the import method. Supported formats include: Agilent (.D), Thermo (.RAW), and netCDF (.CDF).

data = obj.import(filetype, 'OptionName', optionvalue)

Baseline

Perform baseline correction with the baseline method.

data = obj.baseline(data, 'OptionName', optionvalue)

Smooth

Smooth raw data with the smooth method.

data = obj.smooth(data, 'OptionName', optionvalue)

Integrate

Find peaks and determine peak area using the integrate method.

data = obj.integrate(data, 'OptionName', optionvalue)

Visualize

Plot data and export high quality figures using the visualize method.

fig = obj.visualize(data, 'OptionName', optionvalue)