GCxGC Preprocessing and Analysis
Reference Batch Align
Finds batch of EICs
Extracts data from all cdf files in a folder.
Finds batch of mass spectra
Batch reprocessing
Baseline correction
Compares MS to NIST MS database
Compare Peaks
Extracts data from cdf file.
Finds EICs
Finds MS
Fitting to Gaussian curve
1D Gaussian function
Fitting to 2D Gaussian curve
2D Gaussian function
Creates list of atomic mass data
Creates list of NIST data
Compares MS to atomic mass data
Phase shift
Plot chromatogram
Plots the Kendrick Mass Defect of a peak
Plots the EICs
Plots a peak with the fitted Gaussian curve.
Plots a 3D peak with the fitted Gaussian curve.
Plots the mass spectra of a peak.
Plots the mass spectra of a NIST compound.
Peak Plot
Plot only peaks
Preprocessing
Smoothing
Targeted Analysis
Threshold Peaks
TIC integration
Top Peaks
Provides complete detailed preprocessing of two-dimensional gas chromatogram (GCxGC) samples. Baseline correction, smoothing, peak detection, and peak alignment. Also provided are some analysis functions, such as finding extracted ion chromatograms, finding mass spectral data, targeted analysis, and nontargeted analysis with either the 'National Institute of Standards and Technology Mass Spectral Library' or with the mass data. There are also several visualization methods provided for each step of the preprocessing and analysis.