Search Results for "spectra"
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Showing 172 open source projects for "spectra"
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Surya
Implementation of the Surya Foundation Model for Heliophysics
...It is designed to forecast solar phenomena—such as flares, solar wind, irradiance, and active region behavior—by predicting future solar images with a sophisticated long–short vision transformer architecture, thereby enabling improved space weather forecasting. Foresees solar flares, wind, EUV spectra, and active region formation in advance. Achieves approximately 16% improvement in forecasting accuracy over traditional methods. 366-million‑parameter foundation model capturing general-purpose solar representations. -
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ThinkDSP
Digital Signal Processing in Python, by Allen B. Downey
Think DSP is an educational Python project that teaches digital signal processing through executable examples rather than starting with heavy mathematical formalism. It accompanies Allen B. Downey’s book and organizes most lessons as Jupyter notebooks. Readers work directly with waves, spectra, harmonics, filtering, convolution, and other signal-processing concepts. Early exercises show how to decompose sounds, modify frequency components, and synthesize new audio. The repository includes chapter notebooks, solution notebooks, sample sound files, book sources, and reusable Python code. Lessons can run online through Google Colab or Binder, or locally with Conda or Poetry. ... -
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nmrshiftdb2 is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. The nmrshiftdb2 software is open source, the data is published under an open content license. The core of nmrshitdb2 are fully assigned spectra with raw data and peak lists (we have pure peak lists as well).
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MultiSpecEPR
MultiSpec EPR handles and present several spectra 1D and 2D
MultiSpec EPR is a program made to handle and to present several spectra (up to 4000) simultaneously or one by one as well as EPR spectra with two dimensions. It loads spectra from Bruker EPR instruments. It has a new algorithm for automatic peak picking which is very efficient and a very fast and accurate line fitting. It makes colorful figures that can be transferred directly to the scientific articles of one or multiple spectra. -
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SpectralWorks
View, manipulate, analyze (LS fit, SVD, FT), and make figs of, spectra
Program for viewing, editing, manipulating, and analyzing absorbance spectra. Simple arithmetic includes making linear combinations of up to 10 spectra. Advanced functions include fitting spectra as LC of standard basis spectra, singular value decomposition, Fourier transform, differentiation, integration, global fitting of 3D titration and kinetic data. Graphics features allow composing Figures and export to postscript files which can be converted to pdf, imported into PhotoShop for rasterization, or used in page design software like Illustrator. -
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SpectraViever
GUI app to view Veritas, MAX IV data
Data visualization, generate metadata log files, save spectra in .txt format for further advanced analysis. -
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tenon
Analysis of gamma ray spectra from HPGe detector.
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Hyperspectral data analysis in R
Handling and basic analysis of hyperspectral data in R
The hsdar package contains classes and functions to manage, analyse and simulate hyperspectral data. These might be either spectrometer measurements or hyperspectral images through the interface of rgdal. -
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Eleana
Program for the analysis of spectroscopic data, in particular EPR(ESR)
Eleana is a program for manipulating, modifying and analyzing various spectroscopic data, in particular electron paramagnetic resonance spectra. It allows you to import data from Bruker spectrometers such as Elexsys or EMX and data from any ASCII file or imported from the clipboard. The program is under constant development, but already has many functions implemented for spectral analysis. Some of the basic functions include: baseline corrections, filtering, spectral clipping, integration / differentiation, pseudomodulation, filtering, etc. ... -
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The attached files contain software developed for the simulation of pulsed EPR and ENDOR spectra of Gd(III) spin labels, including ENDOR spectra. The results obtained using this software are published at https://doi.org/10.26434/chemrxiv-2023-hg5zc The folder "Simulations.zip" contains all final simulation files used in this work
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...SGMNS used a global connectivity molecular network (GCMN), which was constructed by the structural similarity of metabolites. When the annotation was performed, experimental MS/MS spectra of known metabolites as seeds were assigned to corresponding neighbor metabolites in GCMN as their “pseudo” spectra, and the propagation was performed by searching predicted retention times, MS1 and “pseudo” spectra against metabolite features. Then, the annotated metabolite features were used as new seeds for annotation propagation again. ...
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LogD_Predictor
Models to LogD Predictor Software
The repository contains a packaged set of machine-learning models and neural networks for predicting logD from NMR spectra and molecular fingerprints. For more details, check the Github repository: https://github.com/Prospero1988/logD_predictor -
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Stand-alone application and Python tools for interactive and/or batch processing analysis of X-Ray Fluorescence Spectra. Graphical user interface (GUI) and batch processing capabilities provided.
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Jmol
An interactive viewer for three-dimensional chemical structures.
Over 1,000,000 page views per month. Jmol/JSmol is a molecular viewer for 3D chemical structures that runs in four independent modes: an HTML5-only web application utilizing jQuery, a Java applet, a stand-alone Java program (Jmol.jar), and a "headless" server-side component (JmolData.jar). Jmol can read many file types, including PDB, CIF, SDF, MOL, PyMOL PSE files, and Spartan files, as well as output from Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, and many other... -
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AtomProbeLab
Matlab-based analysis of Atom Probe Data
A collection of scripts and functions for the analysis of atom probe tomography data. Currently, this includes: standard file operations, plotting mass spectra, mass spectra analysis and mass peak overlap solving. For more information see the Wiki: https://sourceforge.net/p/atomprobelab/wiki/Home/ Quick overview video: https://youtu.be/8rJHce7M5UU More in-depth video using the APT school demos live script: https://www.youtube.com/watch?v=cyrLHCzZwuw For details of the maximum likelihood method used to solve peak overlaps see the following papers: https://doi.org/10.1017/S1431927616012782 and https://doi.org/10.1017/S1431927618016276 for the quantification of the uncertainty. ... -
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hackee
Full control & readout of CAEN DT5780 Digital Multichannel Analyzer.
...It provides flexible control over DT5780 module, including High Voltage supplies, trigger, coincidences, digital processor & readout configuration. GUI allows to preview the signals, run data acquisition, observe amplitude spectra and counting rates, etc. -
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echoes
Echoes is a radio spectral analysis software for SDR devices
...Since there is no demodulation, there is no provision for audio listening, except for a notify sound when an event has been recorded. Finally, Echoes can also operate getting an audio input, thus producing audio spectra. This way, Echoes can also be used with traditional receivers. -
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Gwyddion
Scanning probe microscopy data visualisation and analysis
A data visualization and processing tool for scanning probe microscopy (SPM, i.e. AFM, STM, MFM, SNOM/NSOM, ...) and profilometry data, useful also for general image and 2D data analysis. -
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GeigerLog
Python program for Geiger counters and Environmental Sensors
...GeigerLog reads data from devices, saves them to databases, prints to screen and plots as auto-updated, customizable graphs. Quality control using Statistics, Scatter, Poisson, FFT & Autocorrelation, and more. Gamma Spectra - can be displayed, calibrated, and evaluated in GeigerLog! The Raspberry Pi 4, 5 qualify as GeigerLog hosts. -
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The proper way to cite TRAUPIXE are: 1- L. Pichon, Q. Lemasson, D. Bachiller-Perea, C. Pacheco, Advances in dynamic and batch processing of PIXE spectra, Nucl. Instrum. Methods Phys. Res. Sect. B Beam Interact. Mater. At. 565 (2025) 165734. https://doi.org/10.1016/j.nimb.2025.165734. 2-L. Pichon, T. Calligaro, Q. Lemasson, B. Moignard, C. Pacheco, Programs for visualization, handling and quantification of PIXE maps at the AGLAE facility, Nucl. Instrum. Methods Phys. Res. Sect. ...
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STRIKER-GUI
Refine the spectral library to enhance its completeness and coverage.
STRIKER is a tool for correcting spectra with missing or incorrect adduct annotations. It also enables efficient construction of an HMDB-based spectral library and extraction of sublibraries from large spectral libraries. -
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open enventory
Electronic Laboratory Notebook, chemical inventory & more
Web-based Electronic Laboratory Notebook (ELN) with integrated Chemical Inventory by the group of Prof. Goossen (then TU Kaiserslautern, Germany), based on PHP 8+/MariaDB. Allows (sub-)structure search, reaction planning, management of spectra and literature. -
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CPSeis is the open-source version of ConocoPhillips' former seismic processing system. Uses Fortran 90 and C/C++ layers for I/O. The new system was designed using an MPI-parallel model and works well on Linux clusters or on individual workstations.
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pyisocalc
Isotopic pattern calculator in python 3.x
An isotopic pattern calculator written in Python 3. Given a chemical formula, it calculates the full isotopic distribution and simulates a mass spectrum. Dependencies: Python 3.6+, numpy, matplotlib, tkinter. The old python 2.x code has been updated and given a GUI. It's also a lot faster now. -
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lms2fits
Dual-channel spectroscopic receiver using LimeSDR-USB
`lms2fits` is a dual-channel spectroscopic receiver for radio astronomy that employs theLimeSDR's LimeSDR-USB dual-channel transceiver, which in turn employs Lime Microsystems' LMS7002M transceiver chip. These systems allow a frequency-agile (<30 MHz to 3.8 GHz) receiver providing Stokes parameters in dynamic spectra of up to 60 MHz analog bandwidth streamed to a FITS file with three-axis primary table. It runs on linux under .Net.
