ir: Functions to handle and preprocess infrared spectra

Published April 6, 2025 | Version v0.4.1

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ir 0.4.1

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.

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.

Name	Size	Download all
henningte/ir-v0.4.1.zip md5:4ab5912a864fe6784f47de9537511780	2.6 MB	Preview Download

Is supplement to: Software: https://github.com/henningte/ir/tree/v0.4.1 (URL)