PARAFAC Analysis of EEMs from DOM
Calculate the sample loadings for samples not involved in model buildi...
Baseline correction for absorbance data
Fit absorbance data to exponential curve. drm is used for the fittin...
Calculating slopes and slope ratios of a data frame of absorbance data...
Reading absorbance data from txt and csv files.
Converting EEM data from class eem to data.frame.
Import EEMs from generic csv files.
Add data of a PARAFAC model derived from multiway from EEMs
Multiply absorbance data according to the dilution and remove absorban...
Applying functions on EEMs
Check your EEM, absorption and metadata before processing
Check size of EEMs
Return names of samples where certain corrections are missing.
Importer function for generic csv files to be used with eem_read().
Importer function for generic csv files to be used with eem_read().
Create table how samples should be corrected because of dilution
Modifying fluorescence data according to dilution.
Check for duplicate sample names
Opens an R markdown template for an easy and userfriendly analysis of ...
Correct names of EEM samples to match undiluted absorbance data.
Exclude complete wavelengths or samples form data set
Export all samples of an eem_list
EEM sample data is extended to include all wavelengths in all samples
Determines the the biggest range of EEM spectrum where data is availab...
Importer function for Hitachi F-7000 txt files to be used with eem_rea...
Wrapper function to allow eem_inner_filter_effect (eemR) handling diff...
Load all eemlist obects saved in different Rdata or RDa files in a fol...
Missing values are interpolated within EEM data
Check for NAs in EEM data
Load original data from the drEEM tutorial and return it as eemlist
Multiply all EEMs with a matrix
Create table that contains sample names and locations of files.
Replace matched patterns in sample names
Plot fluorescence data from several samples split into several plots.
Runs a PARAFAC analysis on EEM data
Calculate raman area of EEM samples
Wrapper function to eem_raman_normalisation (eemR).
Cut EEM data matching a given wavelength range
Import EEMs from generic csv tables (deprecated)
Remove wavelengths, that are missing in at least one sample form the w...
Remove Raman and Rayleigh scattering in fluorescence data
Determine the range of fluorescence values in a set of samples
set parts of specific samples to NA and optionally interpolate these p...
Smooth fluorescence data by calculating rolling mean along excitation ...
Multiply EEMs with spectral correction vectors (Emission and Excitatio...
Export samples in an EEM list to a single csv files
Data from an eemlist is transformed into an array
Combining extracted components of PARAFAC models
Plot components from a PARAFAC model
Extract EEM matrix for single components determined in the PARAFAC ana...
Set names of PARAFAC components
Extract names from PARAFAC model components
Plot a set of PARAFAC models to compare the single components
3D plots of PARAFAC components
Extract modelling information from a PARAFAC model.
Calculate the core consistancy of an EEM PARAFAC model
Plot correlations of components in samples
Calculating correlations between the component loadings in all samples...
Calculating EEMqual which is an indicator of a PARAFAC model's quality
Extracting components of a PARAFAC model
Create one table containing the PARAFAC models factors and optionally ...
Fits vs. components of PARAFAC models are plotted
Combine leverages into one data frame and add optional labels.
Plot leverage of emission wavelengths, excitation wavelengths and samp...
Plot leverage of emission wavelengths, excitation wavelengths and samp...
Calculate the leverage of each emission and excitation wavelength and ...
Plot amount of each component in each sample as bar plot
Calculate the leverage of each emission and excitation wavelength and ...
Upload PARAFAC models to openfluor.org
Write out PARAFAC components to submit to openfluor.org.
Plot all components of PARAFAC models
Plot results from an SSC check
Reorder PARAFAC components
Create a html report of a PARAFAC analysis
Rescale B and C modes of PARAFAC model
Calculate residual metrics from a PARAFAC model
Plot samples by means of whole sample, each single component and resid...
Calculate residuals of EEM data according to a certain model
Calculate the shift-and shape-sensitive congruence (SSC) between model...
Check SSCs between different models or initialisations of one model
Calculate the importance of each component.
Create table of PARAFAC components and (optionally) EEM peaks and indi...
Mark common EEM peaks
Mark common reagions to EEMs to show molecular groups
Mark EEM scatter bands
Add layers of scatter bands, molecular regions and common peaks to EEM...
EEM spectra plotted with ggplot2
Full join of a list of data frames.
Extract data from emission and excitation wavelengths of the component...
Normalise 3-dimensional array in first and second dimension
Compensate for normalisation in C-modes
Calculate a PARAFAC model similar to and using parafac.
PARAFAC model, see vignette, unconstrained
PARAFAC model, see vignette, non-negative constraints
PARAFAC model, see vignette, non-negative constraints, normalised
PARAFAC model, see vignette, non-negative constraints, normalised, out...
PARAFAC model, see vignette, non-negative constraints, normalised, out...
Plot results from a splithalf analysis
Extracting a list of sample names in each subsample from a splithalf a...
Extracting TCC values from a splithalf analysis
Running a Split-Half analysis on a PARAFAC model
Calculate the combination of components giving the maximum of geometri...
Calculate the shift-and shape-sensitive congruence (SSC) between two m...
Reorders components of different PARAFAC models according to best fit ...
Caluclate Tucker's Congruence Coefficient of PARAFAC components
'This is a user-friendly way to run a parallel factor (PARAFAC) analysis (Harshman, 1971) <doi:10.1121/1.1977523> on excitation emission matrix (EEM) data from dissolved organic matter (DOM) samples (Murphy et al., 2013) <doi:10.1039/c3ay41160e>. The analysis includes profound methods for model validation. Some additional functions allow the calculation of absorbance slope parameters and create beautiful plots.'
Useful links