Search Results for "spectra"
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Showing 90 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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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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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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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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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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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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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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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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Web-based Electronic Laboratory Notebook (ELN) with integrated Chemical Inventory by the group of Prof. Goossen (TU Kaiserslautern, Germany), based on PHP/MySQL. Allows (sub-)structure search, reaction planning, management of spectra and literature.
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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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SAVA
A Signal Acquisition, Visualization & Analysis software
...Most traditional signal processing methods are available, such as trending (Mean, Peak, Min/Max, RMS, Variance, Kurtosis, Skew, MAD) and frequency domain analysis (FFT, FRF, Order Spectrum). For machinery/rotor dynamics impact testing, tacho, order tracking, order spectra, waterfall plots, orbit plots and bode plots are supported. -
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Optimizer_sovkov
Constructing and optimizing general mathematical and physical models
...Many of these programs are already available along with the main package. Currently, the main focus of these is computational quantum mechanics, analysis and simulation of molecular spectra, and general-purpose approximants. The package provides the most reliable modern strategies for linear and non-linear model optimization, regularization, and hypothesis tests. Parallel computing is supported. -
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PANDA
A comprehensive and flexible quantification tool for proteomics data
...First, we implement the advantage algorithms of LFQuant (Proteomics 2012, 12, (23-24), 3475-84) and SILVER (Bioinformatics 2014, 30, (4), 586-7) into PANDA. Second, we consider the state-of-art concept of quantification reliability in this quantitative workflow. On the levels of spectra, peptides and proteins, PANDA works out a few quantitative filters and new scores for quantification confidence. Third, PANDA is designed for processing proteomics big data in parallel. -
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Raman Data Search and Storage
A Raman spectra library with search and storage function.
Raman Data Search and Storage (RDSS) software was developed as an analytical tool for a fast and accurate identification of unknown minerals by comparison of their spectra with the indexed library of data. A search function was implemented to enable users to find a specific peak value. Using the asterisk character (*) as a placeholder for one or more unknown peak value(s), the software will return the best match(es). Besides the search utility by the Raman band positions, which was proven to be priceless in the interpretation of Raman spectra, the RDSS software gives the user the ability to display and inspect the Raman spectra quickly and very efficiently. ... -
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KryoMol
A molecular viewer for quantum chemistry files
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MultiSpecNMR
MultiSpec NMR is program made to handle and to present multi spectra
MultiSpec NMR is program made to handle and to present several spectra (up to 500) simultaneously or one by one. 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. Save txt tables of the peaks and integrals that can be transferred to Microsoft Excel and statistical program. -
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AGLAEMap
Read EDF File / view mapping
...Its interface allows to easily pass from a detector to another and from an analysis to another. Elemental mapping is achieved by selecting a region of interest in the spectra and the corresponding picture can be saved. -
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MultiSpecUVVis
Multi-spectra handling and presentation
Read and handle (Baseline correction, Peakpeaking, Integration, Line fitting) multiple UV-Vis, IR, RAMAN spectra. The project can open .SPE PRINCETON type format and various txt formats however this will be updated in the future. You can make very nice figures 2D and 3D ready for publication. -
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Comet MS/MS search engine
Comet open source tandem mass spectrometry (MS/MS) search engine.
September 2021: the code repository has migrate to https://github.com/UWPR/Comet Comet is an open source tandem mass spectrometry (MS/MS) sequence database search engine. It identifies peptides by searching MS/MS spectra against sequences present in protein sequence databases. Comet currently exists as a simple Windows or Linux command line binary that only does MS/MS database search. Supported input formats are mzXML, mzML, ms2, and Thermo RAW files. Supported output formats are tab-delimited text, Percolator pin, SQT, and pepXML Documentation and project website: http://comet-ms.sourceforge.net -
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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.
