peak-fitting

📈 Application for statistical analysis and data visualization which can generate different types of publication quality 2D and 3D plots with extensive visual customization.

A peak-fitting tool based on MATLAB for spectroscopic data analysis.

Spectra.jl aims at helping treatment of spectral (Raman, Infrared, XAS, NMR) data under the Julia language

PDIndexer is a powder X-ray / neutron diffraction analysis tool: it displays diffraction profiles, overlays the calculated diffraction lines of known crystals, fits peaks to refine lattice constants, and estimates pressure from the equations of state of standard materials.

A modern python package for semi-automated gel electrophoresis analysis (Agarose, PAGE, ...)

Gamma spectroscopy tools for peak fitting and plotting

Free, cross-platform XPS (X-ray photoelectron spectroscopy) peak-fitting app with a built-in fit auditor and a citation-backed reference database — the modern XPSPEAK 4.1 replacement. macOS & Windows, GPLv3.

Lorentzian Fitting with Baseline Models

Interactive multi-peak curve fitting for spectroscopy, diffraction and other 1-D data. Place peaks, fit them, compare models by a number. Desktop client plus compute server; 13 built-in lineshapes, user-defined formulas, and new models added by registration.

Raman Spectrum Toolkit: convert JASCO .jws / CSV / SPC / JCAMP-DX spectra to CSV, Excel, PNG; detect and fit Raman peaks, assign mineral bands, search ROD / RRUFF reference libraries, identify unknown spectra and pair them with references. Bilingual EN/ZH Windows desktop tool. 拉曼光谱工具：转换 · 分析 · 矿物鉴定

A C++ tool for peak profile analysis of XRD data using pseudo-Voigt fitting and the Scherrer equation to determine crystallite sizes, compare samples over time, and perform statistical residual analysis.

PressureCalculator determines pressure in high-pressure experiments (e.g. diamond anvil cell) from ruby R1 fluorescence, the diamond Raman edge, or the equation of state of standard materials such as gold, platinum, NaCl and periclase.

XPS / UPS spectra GUI tool with deep-learning auto peak fitting. CNN1Dv2 + lmfit refinement for C 1s / N 1s / O 1s / S 2p / F 1s, with spin-orbit doublet constraint.

fitting of Raman peaks with Gaussian, Lorentzian and Voigt functions

Reproducible analysis and global deconvolution of TPR, TPD and TPO data.

Desktop GUI for interactive signal preprocessing and multi-Gaussian deconvolution. Load CSV data, apply baseline correction, Savitzky-Golay/Fourier filtering, and fit overlapping peaks using differential evolution optimization.

The application for nuclear spectroscopy analysis.

SpectraGryph-inspired desktop spectroscopy viewer & processor (PySide6 + pyqtgraph): FTIR/Raman/UV-Vis/NIR/XRF, baseline/smoothing/chemometrics, peak finding & Gaussian/Lorentzian/Voigt fitting, JCAMP-DX/SPC/OPUS IO.

Scientific curve and peak fitting for spectroscopy, powder diffraction, kinetics and general x-y data. GUI, Python API and CLI.

Shared C++/Eigen native library for the Crystallography suite: eigenvalue decomposition and matrix exponentials for dynamical diffraction, HRTEM image formation, pseudo-Voigt fitting, and histograms.