Streamlining spectral data processing and modeling for spectroscopy applications
You can not select more than 25 topics Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.

43 lines
2.1 KiB

# simplerspec 0.1.0.9001
* `resample_spc()` now supports flexible spectra and x-axis types as inputs. Its
interface has been carefully augmented without breaking previous
functionality ([#9](https://github.com/philipp-baumann/simplerspec/issues/9)
* New argument `column_in` specifies the string or name (unquoting support)
of the input column that contains the list of spectra. The following
spectrum types, which are automatically matched against the list-column that
contains the corresponding x-unit value vectors, are currently supported:
`spc` (raw or unprocessed spectra), `spc_rs` (resampled spectra),
`spc_mean` (mean spectra), `spc_nocomp` (spectra prior atmospheric
compensation), `sc_sm` (single channel sample spectra), `sc_rf` (single
channel reference spectra), `spc_pre` (preprocessed spectra).
* New argument `interpol_method` specifying the interpolation method is
introduced. Default is `"linear"` to achieve identical results with both
prospectr v0.1.0 and v0.2.0. The current CRAN prospectr v0.2.0 has changed
the default of `interpol` to `"spline"`. The previous `resample_spc()`
unfortunatelty did not explicitly state the method internally, and relied
on the default instead. The measures taken ensure downward compatibility of
`resample_spc()` with previous versions of prospectr and simplerspec.
* The arguments gain more defensive checks inside the function (supplied types
and presence of objects in spectra).
* The function components and the help are updated accordingly. Clearer
vocabulary to describe the functionality and more consistent terminology for
physical quantities and R objects are used.
* Add UTF-8 support to DESCRIPTION because roxygen2 version 7.1.0 requires it.
# simplerspec 0.1.0.9000
* Start using Kirill's `{fledge}` for tracking and communicating the simplerspec
development process in `NEWS`.
# simplerspec 0.1.0
* Added a `NEWS.md` file to track changes to the package
# simplerspec 0.1.0.1
* `read_opus_bin_univ()`: Add support for Bruker files that have undefined `PLF` value (`:= NULL`)