ir 0.4.1
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:
- 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.
- With
method = "vector", all intensity values will be
divided by the norm of the intensity vector (vector normalization).
- 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.