Deconvolution, Alignment and Model Fitting of 1d NMR Spectra


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Documentation for package ‘metabodeconplus’ version 0.22.0

Help Pages

aaa_Get_Started Get URL of Metabodecon "Get Started" Page
align Align deconvoluted spectra
alignment_funs Alignment building blocks
aligns Metabodecon Classes and Helpers
as_decon2 Metabodecon Classes and Helpers
as_decons2 Metabodecon Classes and Helpers
as_spectra Metabodecon Classes and Helpers
benchmark Metabodecon Models
bin Bin a spectra-like object into a feature matrix
bin700 700-bin Zacharias 2013 feature matrix
check_mdrb Check Rust Backend Availability
clupa Alignment building blocks
coef.mdm S3 methods for mdm objects
convert_pos Convert from unit A to unit B
convert_width Convert from unit A to unit B
datadir Return path to metabodeconplus's data directory
datadir_persistent Persistent Data Directory
datadir_temp Temporary Data Directory
decon2 Metabodecon Classes and Helpers
decons2 Metabodecon Classes and Helpers
deconvolute Deconvolute one or more NMR spectra
download_example_datasets Download metabodeconplus Example Datasets
draw_spectrum Draw Spectrum
evalwith Evaluate an expression with predefined global state
fit_mdm Metabodecon Models
get_data_dir Retrieve directory path of an example dataset
get_deg Deconvolute one or more NMR spectra
get_names Metabodecon Classes and Helpers
get_started Get URL of Metabodecon "Get Started" Page
harmonize_grid Harmonize a corpus of spectra onto a shared chemical-shift grid
headtail Show head and tail rows of a matrix-like object
heat_spectra Plot Spectra Heatmap
is_spectra Metabodecon Classes and Helpers
is_spectrum Metabodecon Classes and Helpers
make_spectrum Create a Spectrum Object
mdm Metabodecon Models
mdm_methods S3 methods for mdm objects
metabodeconplus-classes Metabodecon Classes and Helpers
metabodeconplus_file Return Path to File or Directory in metabodeconplus Package
peak_mat Peak feature matrix
plot.mdm S3 methods for mdm objects
plot_spectra Plot Spectra
plot_spectrum Plot Spectrum
predict.mdm S3 methods for mdm objects
print.mdm S3 methods for mdm objects
print.summary.mdm S3 methods for mdm objects
read_spectra Read one or more spectra from Disk
read_spectrum Read one or more spectra from Disk
sap The SAP Dataset
sim The Sim Dataset
sim2 The Sim2 Classification Dataset
simulate_spectrum Simulate a 1D NMR Spectrum
si_mat Signal-integral matrix
snap_to_ref Alignment building blocks
spectra Metabodecon Classes and Helpers
spectrum Metabodecon Classes and Helpers
summary.mdm S3 methods for mdm objects
tmpdir Temporary Session Directory
transp Make transparent
tree Print the Structure of a Directory Tree
tree_preview Print the Structure of a Directory Tree
width Calculate the Width of a Numeric Vector