FREE · OPEN SOURCE · macOS & WINDOWS

Fit XPS spectra — and
know when your fit is wrong.

A free, cross-platform XPS peak-fitting app with a built-in fit auditor and a citation-backed reference database. The modern replacement for XPSPEAK 4.1.

Download free View on GitHub
No account · no peak limits · GPLv3
Ni2p_oxide.dat — PikaXPS
PikaXPS fitting a real Ni 2p XPS spectrum — Regions panel, reference database, peak table and the fit auditor
NOT JUST A FITTER — A VALIDATOR

Everything XPSPEAK did, plus the checks that keep your fits defensible

On a modern Mac/Windows interface — no Python, no account, no peak ceiling.

Built-in fit auditor

FWHM sanity, reference binding-energy checks, doublet integrity, lineshape, satellites, residual z-score, BIC — and a leave-one-out test that flags peaks the data doesn't require.

Citation-backed database

24 elements with binding energies, spin-orbit parameters and RSFs — every value with its literature source. One-click recipes; add your own references.

Truly cross-platform

Native macOS and Windows. No 5,000-point / 51-peak ceiling like XPSPEAK. No Python, no account — free forever under GPLv3.

Imports everything

.dat / .csv / .xlsx / .xls, Thermo Avantage multi-sheet, VAMAS, or paste two columns from Excel. KE→BE conversion built in.

FIT AUDIT

Is your fit
defensible?

A flat residual isn't enough. PikaXPS's auditor runs the checks a careful reviewer would — and a statistical leave-one-out test that catches the "I added a peak and nothing changed" trap.

See how it works
8
audit checks
24
elements in DB
$0
forever
Audit report REVIEW · 7/8 pass
FWHM sanityall within 0.9–1.7 eV
Reference BE checkmatches NIST
Doublet integrity2p ratio = 2.01
Residual z-score|z| max 2.4
Lineshapeasym. tail flagged
Leave-one-out test
Peak 4 (861.0 eV): removing it changes BIC by −1.2. The data doesn't require this peak.
THE MODERN XPSPEAK REPLACEMENT

An honest comparison

PikaXPS is the free, Mac-friendly, validation-focused option.

PikaXPS
XPSPEAK 4.1
CasaXPS
Kherve / LG4X
Price
Free (OSS)
Free
€830+
Free (OSS)
macOS native
Built-in fit auditor
Citation-backed reference DB
partial
One-click recipes
Actively maintained
✕ since 1999
Works with your data
Import anything, paste from Excel
.dat .csv .xlsx .xls VAMAS Thermo Avantage KE→BE

Download PikaXPS — free

Built by a researcher, for researchers. No account, no peak limits, no catch.

Download for macOS Download for Windows
GPLv3 · cite-friendly · see all features →
Free for research — if PikaXPS helps your work, please ⭐ Star on GitHub 📑 Cite PikaXPS