Software Listing: Spectroscopy

Calculates resonant frequencies and mode shapes for Resonant Ultrasound Spectroscopy. This program can function with the common sample shapes used in RUS by material scientists and engineers. Included is a paper explaining the motivation for the program and it's usage, and also some sample material files. Made in 2006a, also works with 7.01. Please email me with bugs or typos in the Readme file..

  • Publisher: Matt Fig
  • Date: 09-05-2013
  • Size: 154 KB
  • Platform: Matlab, Scripts

FTIR Screensaver contains images and screenshots of FTIR Spectrometer and Gas Analysis Software ( FT-IR ). FTIR has many applications in chemical, petroleum and semiconductor environmental monitoring. About IMACC ( Industrial Monitor and Control Corporation - www.ftir.bz ) IMACC FTIR is a leading provider of FTIR Spectroscopy Instrumentation and FT-IR Gas Analysis Software. IMACC designs and develops FTIR ( Fourier Transform Infrared, FT-IR ) gas monitoring equipment and gas anaylsis software for detecting and analyzing chemical compounds in industrial environments. FTIR Instrumentation and analysis is a reliable, accurate and cost effective method of acquiring chemical concentrations.

  • Publisher: IMACC
  • Date: 1-10-2003
  • Size: 1000 KB
  • Platform: Win2000, WinOther

Freeware for optical spectroscopy. Easy to use, fast and reliable. Viewing optical spectra (UV/VIS, IR, NIR, Raman, fluorescence) from different sources. Supported data formats include ASCII, JCAMP-DX, Galactic SPC, Perkin Elmer, Varian Cary 50, Scinco Neosys 2000, Bio-Rad FTS 3000 MX, Agilent/HP 8453, Avantes Avasoft, Milton Roy Spectronic 3000, Roper Scientific/Princeton Instruments WinView/WinSpec. Displaying and batch processing many spectra simultaneously. Exporting data as ASCII, csv, Thermo Galactic/ GRAMS SPC, JCAMP-DX or binary data as well as graphics files (WMF, GIF, PNG, TIFF, BMP).

  • Platform: Win2000, Win7 x32, WinOther, WinVista

The aim of the project is to provide open source collection of algorithms in the field of spectroscopy: data handling and processing, modeling and artificial intelligence tools..

  • Platform: Linux, Mac OS X, WinOther

wacrgEIS is software developed for the West Australian CorrosionResearch Group (wacrg) for analysis of Electrochemical Impedance Spectroscopy (EIS) data..

  • Platform: Linux, Unix

A computational method for quantitative analysis by multiwavelength absorption spectroscopy, called the Tfit method, based on fitting a model of the instrumentally-broadened transmission spectrum to the observed transmission data. It has the advantages of wider dynamic range and greatly improved calibration linearity, compared to conventional methods. Run DemoTFit.m to see how it works. Several other demos are included to allow exploration of the capabilities and limitations of this method. See http://www.wam.umd.edu/~toh/spectrum/TFit.html for more details. (Thanks to Matthew Jones for the slider function.

  • Platform: Matlab, Scripts

A set of scripts, originally written to read in Siemens and Phillips format MR spectroscopy FIDs. Will navigate a file pointer through to the appropriate (group, element) tag in the file..

  • Platform: Matlab, Scripts

The toolbox can import spectra acquired on spectroradiometers manufactured by Analytical Spectral Devices (ASD), Spectra Vista Corporation (SVC), Ocean Optics and the Field Spectroscopy Facility (FSF). It can post process spectra to calculate spectral reflectance, radiance and irradiance. It also provides functions for spectral smoothing with a Savitzky-Golay filter and the removal of the spectral regions dominated by water absorption. Field spectra may be compared with measurements made by satellite or airborne instruments by convolving the field spectra with the relative spectral response functions (bands) of these instruments.

  • Platform: Matlab, Scripts
  • SIVIC
  • License: Freeware
  • Price: 0.00
  • Rating

SIVIC is a small, simple, easy to use application specially designed to help you process and visualize DICOM MR Spectroscopy data.

Through the use of DICOM, SIVIC aims to facilitate the application of MRS in medical imaging studies. SIVIC leverages other open source projects and is built upon VTK, KWWidgets, and dcmtk.



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  • Platform: WinOther

Atomic spectra may be used to quantitatively determine more than 70 chemical elements. In order to be able to detect the atomic spectrum, the atoms or ions have to be separated from one another, i.e. the atoms have to be in a gaseous state. This can be achieved by massively heating the substances to be determined (typically the temperature is several thousand degrees). When the gas heats up, it emits light of various characteristic wavelengths. For hydrogen the resulting spectrum obeys a very simple relation:

Apart from chemical analysis atomic spectroscopy is of considerable importance for the investigation of stars, looking for elemental compositions which could enable life in some form.

  • Platform: WinOther

CHEMIX School is an educational tool for learning chemistry. It is geared toward college-level chemistry, but is also appropriate for high-school students, chemists, and teachers. It is equipped with a periodic table containing history, 19 physical properties + number of stable isotopes, abundance, atomic mass, spin, resonance frequencies, relative receptivity, magnetic moment, quadropole moment and magnetogyric ratio for all stable isotopes. Also included are physical properties of more than 2500 unstable isotopes such as: atomic mass, half-life, decay modes, decay energy, particle energy, particle intensities,spin and magnetic moment including decay trees for 600 decays.

  • Platform: Win2000, WinXP, Win7 x32, Win7 x64, Windows 8, Windows 10, WinServer, WinOther, WinVista, WinVista x64

The Unscrambler® is the complete multivariate analysis and experimental design software, equipped with powerful methods including Principal Component Analysis (PCA), Multivariate Curve Resolution (MCR), Partial Least Squares Regression (PLS-R), 3-Way PLS Regression, K-Means Clustering and SIMCA Classification.

Extensively used across a wide range of research and industrial applications including advanced Chemometrics, Spectroscopy and cutting-edge Sensometrics, this market-leading software yields demand-driven formulations, process optimization, cost- savings and increased ROI in product development, process control, quality control and R&D.

  • Publisher: CAMO
  • Date: 03-06-2011
  • Size: 31755 KB
  • Platform: Win2000, Windows Server, WinOther

ChemToolBox, the swiss army knife of the lab worker, is a freeware which contains numerous scientific data very useful in a laboratory. Thanks to its own database, ChemToolBox will easily substitute to the time-consuming use of scientific books (such as Handbooks) or online databases.
ChemToolBox is a freeware desitinated to a broad audience (any level students, Ph.D. or even senior scientists) and will be a precious help in various fields such as organic chemistry (properties of solvents, miscibility and polarity, cooling mixtures), solution chemistry (acid/base and RedOx couples, colored indicators, complexes, salts, fluorochroms), spectroscopy (1H and 13C NMR) or polymer chemistry), biochemistry (amino acids, nitrogen bases, carbohydrates, fatty acids, SDS-PAGE), etc.

  • Platform: Win2000, Windows Server, Windows Vista, WinOther, WinVista
  • Fityk
  • License: Freeware
  • Price: 0.00
  • Rating

Fityk is a program for nonlinear fitting of analytical functions (especially peak-shaped) to data (usually experimental data). There are also people using it to remove the baseline from data, or to display data only. Fityk is reportedly used in crystallography, chromatography, photoluminescence and photoelectron spectroscopy, infrared and Raman spectroscopy, to name but a few. Fityk knows about common peak-shaped functions (Gaussian, Lorentzian, Voigt, Pearson VII, bifurcated Gaussian, EMG, Doniach-Sunjic, etc.) and polynomials. Fityk also supports user-defined functions. Fityk offers intuitive graphical interface (and also command line interface), variouse optimization methods (standard Marquardt least-square algorithm, Genetic Algorithms, Nelder-Mead simplex), equality constraints, automation of common tasks with scripts.

  • Platform: WinOther

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..

  • Platform: WinOther
  • BrOxy
  • License: Freeware
  • Price: 0.00
  • Rating

BrOxy is an open-source program used to analyse haemodynamic brain oxygenation from near-infrared spectroscopy data. It covers data import/export, filtering, correlation and multi-variate regression analysis, visualisation....

  • Platform: Linux, Mac OS X, WinOther

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..

  • Platform: Linux
  • connjur
  • License: Freeware
  • Price: 0.00
  • Rating

NMR Spectroscopy tools. See http://connjur.uchc.edu.

  • Platform: WinOther

This project provides an "embedded expert system", i.e. a limited ability inference engine, with a demo rule set, taken from the field of X-ray Photoelectron Spectroscopy..

  • Platform: Linux, Unix, WinOther

Electrical Impedance Tomography and Impedance Spectroscopy software that I am developing for my PhD project..

  • Platform: WinOther

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