NEWS.md

In chromatographR: Chromatographic Data Analysis Toolset

chromatograph 0.4.4

*Fixed issue with tests when run on certain machines (MKL).

chromatograph 0.4.3

• Minor changes to documentation.
• Added additional check of chrom_list dimensions and names.

chromatograph 0.4.2

• Added option to select time.units for peak area in get_peaks function facilitating better comparison with vendor software.
• Now allow preservation of instrumental metadata through pre-processing and alignment steps.
• Added filter_peaktable function.
• Changed default behavior in correct_rt to corrected_values rather than models.
• Fixed bug in cluster_spectra affecting peaks with 0 standard deviation.
• Fixed bug affecting peak_list metadata.
• Deprecated load_chroms function. Please use read_chroms from chromConverter to import files instead.

Minor changes:

• Added more informative warnings and error messages to various functions.
• Now recommend installation of VPdtw from CRAN instead of https://ethanbass.github.io/drat/
• Fixed typos in vignette

chromatographR 0.4.1

• 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 NEWS.md file to track changes to the package.

chromatographR documentation built on Aug. 24, 2022, 9:06 a.m.