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chromatographR 0.4.1

CRAN release: 2022-05-19

  • Extended package DESCRIPTION and added citations to relevant references.
  • Added \value and \section{Side effects} fields to docs for the various plot functions.
  • Fixed bug in mirror_plot so legend can be fully hidden by setting plot_legend to FALSE.
  • Fixed bug in scan_chrom so additional arguments are passed to plot_spectrum.
  • Added color argument to customize color of fitted peaks in plot.peak_list.
  • Fixed plot functions and examples so they don’t change par settings.
  • Other small updates to documents (mostly formatting or small clarifications).
  • Fixed plot.peak_table so it can return spectra if export_spectrum is TRUE.
  • Added error for box_plot option in plot.peak_table if metadata is not attached.
  • Added error for box_plot option in plot.peak_table if peak is not provided to loc.
  • Added error in plot_spectrum function for user-supplied retention times beyond the edges of the chromatogram.
  • Added error in plot_spectrum function for unspecified lambda (if what=="click).
  • Released on CRAN

chromatographR 0.4.0

  • Added support for variable penalty dynamic time warping (VPdtw) through correct_rt function.
  • Fixed bug in get_peaks function.
  • Allow preprocessing without interpolation.
  • Fixed bug so preprocess can work on Windows (without parallel processing).
  • Allow use of raw data for peak integration in get_peaks.
  • Added verbose option to correct_rt to print reference chromatogram.

chromatographR 0.3

  • Added a file to track changes to the package.