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Published March 8, 2023 | Version v0.4.6
Software Open

ethanbass/chromatographR: v0.4.6

Authors/Creators

  • 1. Cornell University
  • 2. Biometris, Wageningen UR
  • 3. @FredHutch SciComp
  • 4. Genentech

Description

chromatographR 0.4.6 New Features
  • Added plot_chroms function for easily plotting multiple traces from a list of chromatograms.
  • Minor changes to internal syntax of correct_rt to give more informative error messages.
  • Added estimate_purity argument in get_peaks to toggle peak purity estimation.
  • Changed default setting for progress_bar in correct_rt and get_peaks. Now defaults to TRUE if pbapply is installed.
  • Added additional tests of utility functions and new plot_chroms function.
  • Minor changes to vignette.
  • Minor changes to documentation.
Bug fixes
  • Fixed bug causing mismatched time axes and alignment issues after VPdtw warping (again), so that it returns matrices with a consistent time axis.
  • Fixed y unit label in boxplot.peak_table function.
  • Fixed behavior of plot_spectrum so spectrum is exported properly when engine == plotly.
  • Fixed bug in write_peaktable when writing to xlsx.

Files

ethanbass/chromatographR-v0.4.6.zip

Files (2.6 MB)

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md5:2b866c79d44a6955731cf3fc3bfe44b9
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Additional details

Related works

Is supplement to
https://github.com/ethanbass/chromatographR/tree/v0.4.6 (URL)