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 |