{"categories":[{"label":"Information Analysis","url":"https://skillfed.io/packages/category/scientific-engineering-information-analysis/4"}],"enrichment":{"capability":"Libhreels reads, analyzes, and simulates high-resolution electron energy loss spectroscopy (HREELS) data from Delta05 spectrometers, with tools for plotting, peak selection, and computing full HREEL spectra via Fortran-based calculations.","skillfed_tags":["spectroscopy","fortran-integration","scientific-data"],"use_cases":["Load and visualize HREELS spectra from Delta05 spectrometer output files with automated property extraction.","Interactively select and analyze spectral peaks using the graphical data browser or programmatic peak-picking methods.","Simulate full HREEL spectra for layered materials and heterostructures using Lambin's published calculation method.","Model dielectric properties and optical responses of materials via oscillator and Drude models.","Batch process multiple spectroscopy datasets and extract quantitative metrics like resolution and elastic peak intensity."],"what_it_does":"Libhreels is a Python package for handling and analyzing high-resolution electron energy loss spectroscopy (HREELS) data acquired from Delta05 spectrometers running VSI or SPECS software. It provides data reading, plotting, and interactive analysis routines through a HREELS class that exposes spectrum properties (energy, resolution, intensity) and methods for visualization, peak selection, and data extraction. The package also wraps a Fortran90-based calculation engine (via the lambin class) for computing full HREEL spectra from heterostructures, and includes a dielectrics module for modeling material optical properties through oscillator and Drude responses.\n\nThe package ships with a graphical data browser (ViewHREELS.py) and command-line tools like showHREELS.py for quick spectrum inspection. Core analysis happens through the HREELS class, which loads spectroscopy files and calculates derived quantities such as elastic peak width and count rate. The Fortran calculation component requires manual compilation on most systems, though binaries are pre-built only for Linux Python 3.8.","worth_installing":"Yes, if you work with HREELS data from Delta05 spectrometers and can accept the aging maintenance status and unclear license. The package has no runtime dependencies and low install friction for basic use. However, do not install if you need Fortran-based spectrum simulation on Python versions other than 3.8 on Linux, or if you require legal clarity on licensing before use. Verify the license status and repository health with the maintainers before production deployment."},"id":"libhreels","links":{"html":"https://skillfed.io/packages/libhreels","md":"https://skillfed.io/packages/libhreels.md","pypi":"https://pypi.org/project/libhreels/"},"maintenance":{"status":"aging"},"meta":{"latest_release":"2025-08-26","license_spdx":null,"license_treatment":"unclear","name":"libhreels","python_support":"unspecified","summary":"Handling, simulating, and plotting HREELS and Auger spectroscopy data"},"popularity":{"monthly_downloads":79621,"position":14347,"tier":"top_15000"},"security":{"n_vulnerabilities":0},"version":"2.3.1"}