Results Gallery

Background Subtraction Comparison

Shirley, Tougaard, and Linear background models applied to an O 1s spectrum acquired from a BN-SET-01 sample. The Shirley iterative method converges within 20 iterations at \(10^{-5}\) tolerance.

Peak Fitting: Ti 2p Doublet

Voigt doublet deconvolution of a Ti 2p spectrum showing the \(2p_{3/2}\) and \(2p_{1/2}\) spin-orbit components. The residual panel (bottom) confirms the fit quality with random scatter around zero.

Representative Spectra

The following gallery showcases results from the BN-SET-01 batch analysis pipeline. All figures are generated from real experimental data using the XPS Analyzer toolkit.

Sample Overview

The BN-SET-01 dataset contains XPS survey and high-resolution multiplex spectra from boron nitride samples acquired on a Kratos Axis Ultra spectrometer with monochromatic Al K\(\alpha\) radiation (1486.6 eV). The analysis pipeline processes:

1. Survey spectra (0–1200 eV) for elemental identification
2. High-resolution C 1s, N 1s, B 1s, and O 1s regions
3. Quantitative comparison across four samples (BN-BS-1 through BN-BS-4)

Batch Analysis Pipeline

The complete batch processing pipeline is implemented in:

• scripts/analyze_bn_batch.py — Full batch analysis
• scripts/compare_samples.py — Cross-sample comparison
• scripts/analyze_single_sample.py — Individual sample pipeline

Validation

The Phase E re-validation (scripts/analyze_bn_batch_phase_e.py) confirms:

• Reproducibility of Shirley background convergence across all four samples
• Voigt profile stability with varying initial conditions
• Consistency of spin-orbit doublet parameters with literature values
• Quantification variance < 2 at.% across repeated measurements

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For the complete set of analysis scripts and results, see the scripts/ and data/results/ directories on GitHub.