* Transitioned nappNorm, nappDetermineShift, and nappCopyShift to use modern MATLAB arguments blocks, removing their legacy functionSignatures.json entries.
* Refactored nappNorm to rely on prior peak fitting results (e.g., from nappFitGaussXps) for normalization rather than performing the fitting internally.
* Decoupled energy calibration: nappDetermineShift now solely calculates internal binding energy shifts, and nappCopyShift distributes them using a unified matching engine ('earlier', 'after', 'spectrumNumber').
* Implemented a Universal Logging Block to track data provenance, automatically appending execution timestamps and caller script names to processed rows.
* Updated nappCombineSpectra to output a logDataSource cell array and cleanly name combined spectra.
* Created nappSaveDataTable for automatic, script-named .mat file saving, complete with a Live Editor interceptor.
* Added a publish-mode silencer to nappFitGaussXps to prevent optimizer spam in generated PDFs.
* Updated readme.md to document the new arguments structure, the 3-step calibration workflow, the matching engine, and the new table variables.
BREAKING CHANGES:
- Single-spectrum fitting only (enforces exactly one row selected)
- Gauss fitting now uses FWHM parameter instead of Gaussian width sigma
- Removed multi-row batch processing capability
NEW FEATURES:
- Generic model architecture: arbitrary number of peaks (determined by length of FitParameter.peakArea)
- Full Shirley background support for both Gaussian and Pseudo-Voigt peak shapes
- Comprehensive parameter validation system with detailed error messages
- Support for shared vs per-peak Shirley K parameters
- New fitting modes: 'positionShirley', 'widthShirley', 'widthPositionShirley'
- New custom mode: 'TwoSpinOrbitDoubletPseudoVoigtShirley'
- Automatic field name typo correction ('Bond' → 'Bound')
- Enhanced results export: now includes peakEta and peakShirleyK columns
REFACTORING:
- Centralized peak and background equations in helper functions
- gaussPeak(), lorentzPeak(), pseudoVoigtPeak()
- linearBackground(), activeShirleyBackgroundFwhm()
- fwhm2w() conversion utility
- Extracted model generation to genericModelGenerator()
- Modular validation helpers: checkFieldDimension(), checkBoundsPair()
- Standardized parameter vector layouts documented for all mode/background/peak-type combinations
- Improved column resizing logic with resizeColumnHelper()
- Enhanced plotting integration with nappPlot.m and nappAddFitToPlot.m
ARCHITECTURE:
- Unified parameter extraction for all fitting modes in centralized switch-case structure
- Consistent FWHM-based width parameterization across all peak types
- Mode-specific Shirley K sizing (scalar for shared modes, array for per-peak modes)
- Comprehensive inline documentation of parameter vector layouts (50+ combinations)
IMPROVEMENTS:
- Backward compatibility for 'gauss' width mode (auto-converts to FWHM)
- Robust bounds checking with detailed diagnostic messages
- Enhanced figure generation: residuals plot + fit visualization in tiledlayout
- Better error handling for empty/malformed data structures
- NaN-padded result arrays for variable peak counts
FILE SIZE: ~73KB → ~152KB (107% increase due to comprehensive documentation and generic architecture)
bartels-rausch