# biocharkit 0.2.0

* New isotherm models: `fit_temkin()`, `fit_dr()` (Dubinin-Radushkevich,
  with mean free energy `E`), `fit_sips()`.
* New kinetics models: `fit_elovich()`, `fit_intraparticle()`
  (Weber-Morris).
* Thermodynamics: `fit_vant_hoff()` computes deltaH, deltaS, and deltaG
  from equilibrium distribution coefficients across temperatures.
* `fit_confint()`: confidence intervals for any isotherm/kinetics/van't
  Hoff fit from this package, with an automatic fallback to a Wald
  interval if profiling fails.
* Batch fitting: `fit_isotherm_batch()` and `fit_kinetics_batch()` fit a
  model separately per group (e.g. per sample ID), skipping groups that
  fail to converge with a warning instead of aborting the whole batch.
* FTIR: `baseline_correct()` (linear or rolling-minimum baseline) and
  `find_ftir_peaks()` (automatic local-maxima peak picking with a
  prominence filter).
* XRD: `xrd_deconvolve()`, a simplified simultaneous multi-Gaussian peak
  fit that also returns a crystallinity index.
* `bet_surface_area()`: multi-point BET surface area from gas adsorption
  data.
* Proximate/ultimate analysis: `pct_mass_change()`, `proximate_analysis()`
  (fixed carbon by difference), `ultimate_ratios()` (H/C, O/C, N/C atomic
  ratios for Van Krevelen analysis).
* New vignette, `vignette("biocharkit-intro")`, walking through a full
  synthetic-data analysis using every function in the package.
* Bugfix: `find_ftir_peaks()` incorrectly rejected a local maximum that
  fell exactly between two grid points (a common case when a peak center
  doesn't align with the sampling interval), due to requiring a strictly
  unique maximum within the search window. Tied/plateau maxima are now
  correctly collapsed to a single peak at their midpoint.

# biocharkit 0.1.0

* Initial release.
* Sample ID parsing: `parse_sbc_id()`.
* Data import: `read_ftir_txt()`, `read_xrd_txt()`.
* Adsorption: `qe_batch()`, `removal_efficiency()`.
* Isotherms: `fit_langmuir()`, `fit_freundlich()` (nonlinear with linearised fallback).
* Kinetics: `fit_pfo()`, `fit_pso()`.
* FTIR: `ftir_band_reference()`, `assign_ftir_peaks()`, `functional_group_density()`.
* XRD: `xrd_crystallinity_index()`.
* Statistics: `correlation_matrix()`.
* Plotting: `plot_isotherm()`, `plot_kinetics()`, `plot_ftir_spectrum()`, `save_tiff()`.
* Synthetic example dataset `sbc_example` for demonstration and testing.
