fill = TRUEas a parameter in
utils::read.tablewhen reading data from text within internal functions. Loading GC data with utils::read.table failed in cases of missing values in a column (i.e. empty). This is the correct behaviour as missing data should always be coded explicitly by ‘NA’
remove_emptyfor the main function
align_chromatograms. If samples are empty (ie. no peak) this parameter allows to remove those cases from the dataset to avoid problems in post-hoc analyses. By default
FALSE, ie. all but the blank samples are kept.
permutefor the functions
align_peaks. This allows to change the default behaviour of random permutation of samples during the alignment and might be useful if exact replication is needed.
read_empower2allows to import HPLC data that has been generated using the EMPOWER 2 software
New functions implemented
choose_optimal_referenceoffers an automatism to pick suitable references.
draw_chromatogramsallows to represent a peak list in form of chromatogram.
remove_blanksallows to get rid of peaks that represent contamination after aligning a dataset
remove_singletonsallows to remove single peaks from the dataset after aligning
merge_redundant_rowsallows to merge rows that were not recognised as redundant during the alignment by increasing the threshold value for the evaluation of similarity
pbapply, we implemented progress bars to inform the user about the progress and the estimated running time of intermediate steps in the alignment of peak lists.
draw_chromatogramswas added as another visualisation tool.
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