NEWS

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tidyspec 0.4.0

New functions

spec_join()

• Join multiple spectral tibbles: Combine two or more spectral datasets that share the same wavenumber column
• Flexible join types: Support for "full" (default), "inner", and "left" joins
• Conflict handling: Automatic suffix handling for duplicate column names
• Validation: Comprehensive checks for input tibbles and wavenumber column consistency
• Integration: Full compatibility with the tidyspec workflow and set_spec_wn() global settings

spec_values_at()

• Extract values at specific wavenumbers: Retrieve spectral intensities at user-defined wavenumber positions
• Multiple extraction methods:
  • "closest": Find nearest wavenumber matches (default)
  • "exact": Return only exact matches, NA for non-matches
  • "interpolate": Use linear interpolation between adjacent data points
• Flexible output formats:
  • "wide": Wavenumbers as rows, samples as columns (default)
  • "long": Tidy format with wavenumber, sample, and value columns
• Tolerance control: Set maximum allowed difference for closest matching
• Use cases: Ideal for peak analysis, sample comparison, and creating datasets for statistical analysis

Enhancements

• Both new functions follow tidyspec conventions with consistent parameter naming and behavior
• Integration with the global wavenumber column system (set_spec_wn())
• Comprehensive input validation and informative error messages
• Support for the standard tidyspec warning system for parameter defaults

Documentation

• Added comprehensive documentation with examples for both new functions
• Detailed parameter descriptions and method explanations
• Usage examples covering common spectroscopy workflows

tidyspec 0.3.0

New Features

Spectral Interpolation Functions

• Added spec_interpolate_left() for interpolating spectral data to match reference wavenumber grids (left join style)
• Added spec_interpolate_right() for combining datasets with interpolated reference data (right join style)
• Added spec_interpolate_regular() for creating regular wavenumber grids with specified resolution
• Support for multiple interpolation methods:
  • "linear" - Linear interpolation (base R)
  • "pchip" - Piecewise Cubic Hermite Interpolating Polynomial (requires pracma)
  • "spline" - Cubic spline interpolation (base R)
  • "akima" - Akima spline interpolation (requires akima)
• Optional extrapolation control with extrapolate parameter
• Automatic handling of overlapping column names with customizable suffixes
• Consistent integration with tidyspec environment for automatic wavenumber column detection

Dependencies

• Added pracma and akima to Suggests for advanced interpolation methods
• Functions gracefully handle missing optional dependencies with informative error messages

Documentation

• Comprehensive documentation for all interpolation functions with usage examples
• Clear explanation of join-style behavior for spectral data alignment

tidyspec 0.2.0

New Features

Baseline Correction Functions

• Added spec_blc_rubberband() function for rubberband baseline correction of spectral data
• Added spec_bl_rubberband() function to extract rubberband baseline from spectral data
• Rubberband method provides automatic baseline correction by connecting local minima points
• Both functions support customizable segment length and baseline smoothing options

Improvements

• Enhanced baseline correction options with rubberband algorithm alongside existing rolling ball method
• Consistent API design between rolling ball and rubberband baseline functions

Documentation

• Added a NEWS.md file to track changes to the package