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staRdom is a package for R to analyse fluorescence and absorbance data of dissolved organic matter (DOM).
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staRdom is a package for R to analyse fluorescence and absorbance data of dissolved organic matter (DOM). It is possible to do the following steps: * correcting excitation-emission-matrices (EEM, doi:10.1039/c3ay41160e, partly done with eemR) * calculating fluorescence peaks and indices (done with eemR) * biological index (bix, doi:10.1016/j.orggeochem.2009.03.002) * so-called Coble-peaks (b, t, a, m, c, `r citet("10.1016/0304-4203(95)00062-3")`) * fluorescence index (fi, doi:10.4319/lo.2001.46.1.0038) * humification index (hix, doi:10.1021/es0155276) * absorbance slope parameters (a254, a300, E2:E3, E4:E6, S275-295, S350-400, S300-700, SR, doi:10.4319/lo.2008.53.3.0955, doi:10.1016/j.marchem.2004.02.008) * PARAFAC/CANDECOMP analysis can separate the components of the EEMs that can be linked to chemical components in DOM (doi:10.1039/c3ay41160e). staRdom was developed and is maintained at WasserCluster Lunz (http://www.wcl.ac.at/index.php/en/) and the University of Natural Resources and Life Sciences, Vienna (http://www.boku.ac.at/). The analysis process was already discussed in other papers and tutorials. The aim of this package was to bring a familiar way of using PARAFAC analysis for DOM to the R platform. The offered functions follow the concept of doi:10.1039/c3ay41160e. Reading it is recommended and can help your understanding! Changelog: 1.0.26 to 1.0.27 eem_smooth, eempf_ssc and eempf_ssccheck use multiple CPUs now 1.0.24 to 1.0.26 changes in vignettes 1.0.23 to 1.0.24 reduced package size by restructuring data 1.0.22 1.0.23 bugfix in eem_ife_correction 1.0.21 to 1.0.22 corrected broken links in vignettes 1.0.20 to 1.0.21 changes in vignettes 1.0.19 to 1.0.20 corrected an issue with absorption data 1.0.18 to 1.0.19 function eem_apply to apply any functions on EEMs corrected wrong a254 and a300 were wrong when using absorption data 1.0.17 to 1.0.18 Minor issues to fulfill CRAN requirements 1.0.16 to 1.0.17 SSC included to measure the similarity between components dec and sep recognition is possible with numbers in exponential format SSCs between components of a model can be plotted 1.0.15 to 1.0.16 corrected reading single absorbance files 1.0.13 to 1.0.15 absorbance and absorption can be used for inner-filter effect correction the desired number of converging models can be set optionally 1.0.12 to 1.0.13 adapted to work with eemR 1.0.1 added optional contours to plots ensured nonnegative values with nonnegative constraints corrected absorbance problem with the PARAFAC report models and samples are plotted in same order as the list of models or samples spectral correction is not limited to integer values anymore solved issue with axis breaks 1.0.11 to 1.0.12 The PARAFAC tutorial was improved and extended again. all examples are taken from drEEM now eem_read_csv function to read EEM data from plain csv files absorbance_read probably recognises csv separators more precisely now eem_extend2largest adds NAs at wavelengths where data is present in any other sample in a set eem_spectral_cor can do spectral corrections using one vector for emission and excitation each eem_load_dreem loads the data from drEEM directly from the website into R A_missing can be used to calculate A-modes from each combination of components now eempf_excomp extract components from PARAFAC models to variables eempf_bindxc bind extracted components into one set of components 1.0.10 to 1.0.11 absorbance parameters can be interpolated where wavelengths are missing absorbance can be passed on as absorbance coefficient 1.0.9 to 1.0.10 corrected bug: functions not exported PARAFAC models and components can have names PARAFAC tutorial revised exmaple data reduced again because of package size eempf_varimp calculates the variable importance of the components eempf_reorder can reorder the components in a PARAFAC model based on different criteria 1.0.8 to 1.0.9 Re-worked PARAFAC tutorial abs_blcor does a baseline correction of absorbance data abs_parms additionally calculates the spectral slope according to Loiselle, 2009 eem_setNA can remove defined data and optionally interpolate additional methods for interpolation added eem_matmult multiplies eem data with a certain matrix to cur out data ranges where you expect noise eem_checkdata additionally checks the size of EEMs abs_fit_slope does not produce errors (but a warning) if the absorbance wavelength is smaller than the desired slope limits. absorbance_read is more reliable now and can deal with more formats 1.0.7 to 1.0.8 documentation was extended reading absorbance data can determine decimal separator automatically corrected broken dependency to multiway 1.0.6 to 1.0.7: correction of sample normalisation functions for merging diluted and undiluted samples 1.0.5 to 1.0.6: absorbance_read: sep and dec are set automatically, location of files is saved eem_checkdata: added functions to check imported data, checks sample names, missing data eempf4analysis: create and optionally export table containing loadings from parafac, peaks, indices and absorbance slope parameters eempf_eemqual: calculate model quality eempf_report: create a report from a PARAFAC model and write out as html 1.0.3 to 1.0.5: corrected severe bug in eem2array corrected severe bug in norm_array eem_parafac: bug in Windows multi core calculation corrected A_missing computation time improved maxlines computation time improved help imporved on some topics vaulty demo data sh corrected added README