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.