Resolve the spectrum
Bounded peak models, multiple line shapes, explicit backgrounds, and linked spin-orbit doublets. Inspect measured counts, fitted components, residuals, and local uncertainties together.
← SOFTWARE COLLECTION / SURFACE & PHOTOELECTRONS
RESEARCH SOFTWAREv0.2.0
XPS Master
A surface holds a story.
Resolve it, peak by peak.
Reproducible X-ray photoelectron spectroscopy analysis: constrained peak fitting, survey screening, model evidence, and publication figures in one scientific workspace.
Developed by Ali Afruz
SURFACE & PHOTOELECTRONSLIVE STUDY
Photoemission + resolved peaksILLUSTRATIVE MODEL
Built around the question.
Surface chemistry begins with a spectrum, but interpretation depends on the choices behind it. XPS Master makes backgrounds, peak models, constraints, calibration history, and retained results inspectable. Move from measured counts to a fit you can question, reproduce, and communicate.
Keep the assumptions visible
Uniform and raw-count Poisson objectives, likelihood-consistent AICc/BIC, parameter ties, and identifiability diagnostics help put a numerical fit in context.
Look beyond a single fit
The desktop edition adds smart deconvolution, Stability-Consensus Trust Reports, controlled model comparison, and global multi-spectrum fitting.
From survey to composition
Screen element candidates with companion-line and overlap checks. Review editable sensitivity factors before interpreting a composition preview.
Carry the evidence forward
Retain independent spectra and calibration history in complete .xpsa sessions. Export Excel workbooks and prepare publication figures in Manuscript Plotter.
Open a lab, anywhere
The Chemitro web edition runs the original scientific core on your own device. Import a region, choose backgrounds and components, fit, inspect residuals, and export local results.
02 / THE WORKFLOWFROM OBSERVATION TO INTERPRETATION
A little structure.
More room to explore.
- 01Import & calibrate→
- 02Choose the background→
- 03Constrain & fit→
- 04Inspect & publish→
Peak fits and local errors depend on the background, profiles, calibration, and constraints. A numerical component does not establish chemical identity. Use raw, nonnegative counts for Poisson fitting; inspect residuals and independent experimental evidence.
Read the documentation ↗“
RESEARCH BUILDS ON CREDIT
Used it? Cite it.
If XPS Master contributes to your research, please cite the exact software version you used.
Afruz, A. (2026). XPS-master (Version 0.2.0) [Computer software]. https://github.com/AliAfruz/XPS-Master