GCxGC Preprocessing and Analysis


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Documentation for package ‘gcxgclab’ version 1.0.1

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align Reference Batch Align
batch_eic Finds batch of EICs
batch_ms Finds batch of mass spectra
batch_preprocess Batch reprocessing
bl_corr Baseline correction
comp_nist Compares MS to NIST MS database
comp_peaks Compare Peaks
extract_data Extracts data from cdf file.
find_eic Finds EICs
find_ms Finds MS
gauss 1D Gaussian function
gauss2 2D Gaussian function
gauss2_fit Fitting to 2D Gaussian curve
gauss_fit Fitting to Gaussian curve
mass_list Creates list of atomic mass data
nist_list Creates list of NIST data
non_targeted Compares MS to atomic mass data
phase_shift Phase shift
plot_chr Plot chromatogram
plot_defect Plots the Kendrick Mass Defect of a peak
plot_eic Plots the EICs
plot_gauss Plots a peak with the fitted Gaussian curve.
plot_gauss2 Plots a 3D peak with the fitted Gaussian curve.
plot_ms Plots the mass spectra of a peak.
plot_nist Plots the mass spectra of a NIST compound.
plot_peak Peak Plot
plot_peakonly Plot only peaks
preprocess Preprocessing
smooth Smoothing
targeted Targeted Analysis
thr_peaks Threshold Peaks
top_peaks Top Peaks