ir 0.4.2

• Bug fix in an example due to a new dplyr version (1.2.0).

ir 0.4.1

• Updates due to a new R version.

ir 0.4.0

Bug fixes

New functions

• ir_scale(): Function to scale intensity values in spectra, similar to base::scale(). Intensity values are scaled for the same x axis values.
• ir_as_ir.ir_flat(): Conversion of ir_flat objects to ir objects.
• ir_as_ir.hyperSpec(): Conversion of hyperSpec::hyperSpec objects to ir objects.
• ir_as_ir.Spectra(): Conversion of ChemoSpec::Spectra objects to ir objects.
• ir_identify_empty_spectra(): Identifies rows in an ir object with empty spectra (former internal function ir_check_for_empty_spectra()).
• ir_sample_prospectr(): Wrapper function to use sampling algorithms implemented in the ‘prospectr’ package directly with ‘ir’ objects.

Improvements

• ir_correct_atmosphere() has a new parameter return_contribution which allows to return the contribution of ref to each spectrum in x.
• ir_normalize() has three new methods to normalize spectra:
  1. With method = "area_absolute", all intensity values will be divided by the sum of the absolute intensity values at all wavenumber values of the spectrum.
  2. With method = "vector", all intensity values will be divided by the norm of the intensity vector (vector normalization).
  3. With method = "snv“, a Standard Normal Variate correction will be performed.
• ir_bc_rubberband() has an additional parameter to allow imputation of the first and last value in a spectra to avoid artifacts which may happen during baseline correction with the rubberband algorithm.
• All functions now fully support empty spectra.
• Several dependencies in Imports have been moved to Suggests.
• Efficiency of several functions has been improved.

ir 0.3.0

Bug fixes

• In ir_import_spc(), the returned ir object was not a tbl_df, but a data frame. This is now corrected.
• In unnest.ir(), the ir class was not restored and therefore the result was always unclassed.
• In ir_average(), the returned ir object was still a grouped_df. This is now corrected (by adding the .groups argument for dplyr::summarize() which is internally used by ir_average()).

New functions

• ir_export_prepare() to support exporting ir objects to csv.
• ir_correct_atmosphere() enables correcting for atmospheric artifacts (e.g. H\(_2\)O and CO\(_2\) peaks) following Perez-Guaita et al. (2013) (DOI: 10.1366/13-07159).

Improvements

• Making ir_flatten() faster by improving spectra combining.
• Making ir_bin() faster by improving spectra summarizing per bin. Allowing to specify how wavenumber values should be defined after binning.
• Arithmetic operations now also accept numeric vectors (ir_subtract(), ir_add(), ir_multiply(), ir_divide()).

ir 0.2.1

• Circumventing a bug in ir_import_spc() by allowing to not export spectra metadata. This bug is caused by hyperSpec::read.spc() and will be fixed in the upcoming weeks. See https://github.com/r-hyperspec/hyperSpec/issues/80

ir 0.2.0

• First CRAN release (#1).
• Added a NEWS.md file to track changes to the package.
• Added tidyverse methods for ir objects.
• ir objects no longer require columns measurement_id and sample_id, but only the column spectra.
• Added subsetting and binding methods for ir objects.
• Added arithmetic operators for ir objects.