FitED: A User-Centric, Extensible Software Environment for Robust Peak-Profile and General Functional Data Fitting

Fuente: arXiv
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Main Author: Aboulsaad, Mustafa Mahmoud
Format: Preprint
Published: 2026
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author Aboulsaad, Mustafa Mahmoud
author_facet Aboulsaad, Mustafa Mahmoud
contents Reliable parameter extraction from experimental data is essential for quantitative analysis across spectroscopy, diffraction, photoluminescence, chromatography, microscopy, and time-resolved measurements. However, nonlinear fitting often remains difficult to reproduce, especially when complex models, correlated parameters, uncertain derived quantities, and user-dependent fitting choices are involved. We present FitED, a Python-based desktop application for nonlinear fitting of one-dimensional scientific data that combines an accessible graphical interface with a transparent and flexible numerical backend. FitED supports conventional peak profiles, including Gaussian, Lorentzian, Pseudo-Voigt, and exact area-normalized Voigt functions, as well as arbitrary user-defined analytical models for broader experimental applications. The software integrates local and global-search-assisted optimization strategies, automated model initialization, repeated stability testing, parameter-correlation analysis, and covariance-based propagation of uncertainty for derived quantities. By combining interactive usability with uncertainty-aware analysis and structured export of fitting results, FitED provides a practical platform for reproducible and interpretable fitting of experimental data. The software is intended to support both routine analysis and advanced model evaluation while preserving the parameter-level control required by experimental researchers.
format Preprint
id arxiv_https___arxiv_org_abs_2605_00172
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle FitED: A User-Centric, Extensible Software Environment for Robust Peak-Profile and General Functional Data Fitting
Aboulsaad, Mustafa Mahmoud
Data Analysis, Statistics and Probability
Materials Science
Mathematical Software
Reliable parameter extraction from experimental data is essential for quantitative analysis across spectroscopy, diffraction, photoluminescence, chromatography, microscopy, and time-resolved measurements. However, nonlinear fitting often remains difficult to reproduce, especially when complex models, correlated parameters, uncertain derived quantities, and user-dependent fitting choices are involved. We present FitED, a Python-based desktop application for nonlinear fitting of one-dimensional scientific data that combines an accessible graphical interface with a transparent and flexible numerical backend. FitED supports conventional peak profiles, including Gaussian, Lorentzian, Pseudo-Voigt, and exact area-normalized Voigt functions, as well as arbitrary user-defined analytical models for broader experimental applications. The software integrates local and global-search-assisted optimization strategies, automated model initialization, repeated stability testing, parameter-correlation analysis, and covariance-based propagation of uncertainty for derived quantities. By combining interactive usability with uncertainty-aware analysis and structured export of fitting results, FitED provides a practical platform for reproducible and interpretable fitting of experimental data. The software is intended to support both routine analysis and advanced model evaluation while preserving the parameter-level control required by experimental researchers.
title FitED: A User-Centric, Extensible Software Environment for Robust Peak-Profile and General Functional Data Fitting
topic Data Analysis, Statistics and Probability
Materials Science
Mathematical Software
url https://arxiv.org/abs/2605.00172