Search Results for "spectroscopy"
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Showing 50 open source projects for "spectroscopy"
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Jmol
An interactive viewer for three-dimensional chemical structures.
...A rich scripting language and a well-developed web API allow easy customization of the user interface. Features include interactive animation and linear morphing. Jmol interfaces well with JSpecView for spectroscopy, JSME for 2D->3D conversion, POV-Ray for images, and CAD programs for 3D printing (VRML export). -
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Tempico software
Software to control and analyze Tausand Tempico timing data
Tempico Software is designed to control the Tausand Tempico TP1004 and TP1204 devices, a time-to-digital converter that captures temporal differences from a common start signal across multiple channels. The software generates histograms from captured data, supports lifetime measurements via single-photon correlation (SPC), and displays real-time graphs with adjustable fitting options. It includes a 'Counts Estimation' panel to estimate count rates per channel over time, and a 'Time Stamping'... -
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Optimizer_sovkov
Constructing and optimizing general mathematical and physical models
We present the package Optimizer, aimed at constructing and optimizing general mathematical models of phenomena of versatile nature. It is written in the Matlab algorithmic language and is executed in the Matlab environment with partial functionality in Octave. The convenient visual interface and the detailed manuals are provided. The main benefit of the package is its capability to construct models of any level of complexity in a block-by-block manner. Elementary model blocks can be... -
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JSmol
JavaScript-Based Molecular Viewer From Jmol
JSmol is the extension of the Java-based molecular visualization applet Jmol (jmol.sourceforge.net) as an HTML5 JavaScript-only web app. It can be used in conjunction with the Java applet to provide an alternative to Java when the platform does not support that (iPhone/iPad) or does not support applets (Android). Used in conjunction with the Jmol JavaScript Object (http://wiki.jmol.org/index.php/Jmol_Javascript_Object), JSmol seamlessly offers alternatives to Java on these non-Applet... -
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Blueprint XAS is a Matlab-based suite designed for the processing and analysis of near-edge x-ray absorption spectroscopy (XAS) data. The suite is designed primarily to assist users in exploring reasonable fit solutions while minimizing user bias.
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NESSIE is a modern first-principle calculation software that can adequately address the need for ever-higher levels of numerical accuracy and high-performance in large-scale electronic structure simulations, as well as pioneer the fundamental study of quantum many-body effects in a large number of emerging nanomaterials. NESSIE is an electronic structure code that uses a real-space FEM discretization and domain-decomposition (DD) to perform all-electron ground-state DFT and real-time...
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VMS Draw
user-friendly access to the latest computational spectroscopy tools
...Finally, it permits effective interactions with other electronic structure codes [e.g., nuclear magnetic resonance (NMR), microwave] even if Gaussian 16 offers the widest set of methods for computational spectroscopy. -
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kSEMAW
Spectro-Ellipsometric Measurement Analysis Workbench
kSEMAW is a workspace for the analysis of Spectrophotometric (SP), Ellipsometric (ELI) and Photothermal Deflection Spectroscopy (PDS) measurements. The letter “k” indicates the use of the Qt libraries. -
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JSpecView Project
Spectroscopy Viewer
The JSpecView Project initially provided JAVA applets for the display of JCAMP-DX and AnIML/CML spectral files. The source and binary files are available via the Code (sourceforge SVN) and Files menu options. See the WIKI pages (Hosted Apps) for more detail. Beginning September 2018 all code changes are being handled via the Jmol Sourceforge page. The codes has been fully merged and JSmol the JavaScript/HTML5 version of Jmol now includes the non-Java version of JSpecView. -
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SIVIC is an open-source, standards-based software framework and application suite for processing and visualization of DICOM MR Spectroscopy data. Through the use of DICOM, SIVIC aims to facilitate the application of MRS in medical imaging studies.
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Novembre
STM data analysis
A tool for visualisation and analysis of STM and STS results. Currently supports RHK, WinSPM, Nanonis and Createc file formats. Other formats can be added. Tools are made available by plugins and are currently focused on spectroscopy manipulation. -
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RadiationHelper
Alpha, Beta, Gamma measurements and Nuclide exposure
RadiationHelper is a data analysis tool for : 1. gross alpha and beta radiation measurement and detector calibration using experimental data (counts acquired by alpha-beta devices). 2. gamma spectroscopy measurements and detector calibration using experimental data (spectra acquired by acquisition software such as Assayer, Gamma Vision, Maestro) 3. gross alpha,beta, gamma detector efficiencies and gamma peak efficiency can be theoretical computed using Monte-Carlo simulation technique for radiation transport (based on EGSnrc toolkit) 4.dose assessment in human body exposed to radiations from nuclides in several common scenarios such as air exposure, water submersion, ground surface, internal ingestion or inhalation. 5. quick dosimetry and shielding computations. ... -
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nmr-nessy
NMR relaxation dispersion spectroscopy analysis software
NESSY is an open source software to analyse NMR relaxation dispersion data of either CPMG or R1p (R1rho) dispersion experiments. The graphical interface enables simple management of large experimental data sets and simple and automated analysis. NESSY automatically calculates effective transverse relaxation rate (R2eff) and performs model selection between different relaxation dispersion models. -
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fairy
flexible analysis of irradiation yields in nucelar spectroscopy
This program is for easy, fast and intuitive visualization and analysis of nuclear spectroscopic data. The program's functionality can be extended with plugins. -
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PyCosmic is a tool to detect and clean single images from the disturbing cosmic ray hits. It was designed and tested specifically for CALIFA and other fiber-fed integral-field spectroscopy dataset. It is written in Python and can be executed from the command line. New release is version v0.5. Updated to be compatible with numpy version 1.12. New release is version v0.4. It's now compatible with astropy for fits I/O and computation time is reduced by a factor of 2.
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ChiantiPy is a Python package for the CHIANTI atomic database for astrophysical spectroscopy. It provides access to the database and the ability to calculate various physical quantities for the interpretation of astrophysical spectra.
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Raman baseline
Raman baseline correction algorithm for biological samples
Raman baseline correction algorithm specifically designed with the needs of in vivo Raman spectroscopy in mind. It handles irregularly shaped, strong fluorescent baselines and works fine with very low signal to noise ratio. -
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jSulfoQuant
Sb/(Sb+As) content ratio determination of the sulfosalts minerals
A computer program for a fast and accurate determination of Sb/(Sb+As) content ratio in the tetrahedrite-tennantite and bournonite-seligmannite solid solution series by at least one spectral parameter (band position or relative intensity) of their Raman spectra. -
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PyVib2 is a program for analyzing vibrational motion and vibrational spectra. It is an open source "all-in-one" solution for scientists working in the field of vibrational spectroscopy (Raman and IR) and vibrational optical activity (ROA and VCD).
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ppienergy
Compute Protein Protein Interaction Energy Profile
...In the present work, we have developed a new approach to explore the energy landscape of protein-protein interactions by employing a rapid modified DFT-D approach using the atomic coordinates obtained from X-ray and NMR spectroscopy data. The distance energy plots of contact residues in the interacting regions of several experimentally validated protein-protein complexes were computed to generate energy landscapes. Cumulative energy profiles of protein-protein complexes were generated for observing trends in the context of geometry (parallel, terminal), surface areas (large, medium, small) and interacting partners (homomer, heteromer). -
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ForceReader
Soft for force spectroscopy data analysis
A simple Windows application for data of atomic force spectroscopy (force-distance curves) analysis. It is adopted for Veeco/Bruker Picoforce file format, but it is possible to use it for analysis of txt-table data. -
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ANT.Gaussian
Quantum transport code based on Gaussian03/09
...Straightforwad use of ANT.G include the computation of the zero-bias conductance (or, alternatively, the electrical current under an applied bias voltage) of a variety of nanoscale systems such as molecular bridges or simply metallic atomic contacts as those created with scanning tunneling microscope or break junction techniques. The use of ANT.G may also be naturally extended to the computation of scanning tunneling spectroscopy and the simulation of scanning tunneling and electrostatic force microscopy. -
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xylib is a portable library for reading x-y data from powder diffraction, spectroscopy and other experimental methods. Supported formats: VAMAS, pdCIF, Bruker, Philips, Rigaku DAT, Sietronics CPI, DBWS/DMPLOT, Koalariet XDD and others.
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PyMoss
PyMoss is a simulation software for Mössbauer spectroscopy.
PyMoss is a simulation software for Mössbauer spectroscopy.
