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Streamlining spectral data processing and modeling for spectroscopy applications
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simplerspec/NEWS.md

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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

    • 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)