biocharkitgui 0.3.0

• New TGA Analysis tab, wrapping biocharkit’s new TGA module (requires biocharkit >= 0.3.0):
  • Curve analysis: upload a full TGA curve, get a smoothed DTG curve with auto-detected decomposition peaks (matched against typical moisture/hemicellulose/cellulose/lignin temperature ranges), a proximate analysis (moisture/VM/ash/fixed carbon) read straight off the curve at adjustable temperature breakpoints, a TG/DTG plot, and CSV/600 dpi TIFF downloads.
  • Batch mode (same checkbox pattern as the Isotherms/Kinetics tabs): run the proximate analysis separately per sample ID across a long-format multi-sample data frame.
  • Kissinger kinetics sub-panel: upload a small heating-rate/peak- temperature table (one row per heating rate) and fit non-isothermal activation energy and pre-exponential factor.
  • New logic functions gui_tga_curve(), gui_tga_stages(), gui_tga_stages_batch(), gui_tga_kissinger() in R/logic.R, following the same column-mapping/validation pattern as the rest of the app.
  • Combined session report gained matching “TGA Analysis” and “TGA — Kissinger Kinetics” sections.

biocharkitgui 0.2.0

• Isotherms tab: added Temkin, Dubinin-Radushkevich, and Sips models alongside Langmuir/Freundlich; added batch mode (fit every group in a sample-ID column separately, one row of results per group).
• Kinetics tab: added Elovich and intraparticle diffusion models alongside pseudo-first/second-order; added batch mode.
• New Thermodynamics tab (van’t Hoff analysis).
• New BET Surface Area tab.
• New Proximate / Ultimate Analysis tab.
• FTIR tab: added optional baseline correction (linear or rolling-minimum) and one-click automatic peak detection.
• XRD tab: added an option to deconvolve a full 2theta/intensity pattern into crystalline peaks and a crystallinity index, instead of requiring pre-computed peak areas.
• Results tables now use DT (sortable, searchable, paginated) instead of static tables.
• New combined session report: every analysis run in the session is accumulated and downloadable as a single HTML report from the Home tab.
• Internal: DT, grDevices, and rmarkdown usage moved into real, independently-tested R/ functions (gui_datatable(), gui_snapshot_png(), gui_render_report()) rather than being used only inside the Shiny app script.
• Fixed an upstream bug in biocharkit::find_ftir_peaks() (see that package’s NEWS) that affected the new automatic peak detection feature.

biocharkitgui 0.1.0

• Initial release.
• run_biocharkit_gui() launches a local Shiny app wrapping the biocharkit package.
• Tabs: Sample ID Parser, Adsorption Capacity, Isotherms, Kinetics, FTIR (functional-group density and peak assignment), XRD Crystallinity, Correlation Matrix.
• Excel import via gui_read_excel() / gui_list_sheets(), with interactive column mapping (no coding required) for every analysis.
• Results downloadable as CSV; isotherm/kinetics/FTIR-spectrum plots downloadable as 600 dpi TIFF.