Search Results for "raman"
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Showing 14 open source projects for "raman"
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pybaselines
Library of algorithms for baseline correction of experimental data
pybaselines is a Python library that provides many different algorithms for performing baseline correction on data from experimental techniques such as Raman, FTIR, NMR, XRD, XRF, PIXE, etc. The aim of the project is to provide a semi-unified API to allow quick testing and comparing multiple baseline correction algorithms to find the best one for a set of data. pybaselines has 50+ baseline correction algorithms. These include popular algorithms, such as AsLS, airPLS, ModPoly, and SNIP, as well as many lesser-known algorithms. ... -
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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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Raman Data Search and Storage
A Raman spectra library with search and storage function.
...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. Users can zoom into the Raman spectrum, shift in any direction the wavenumber and the intensity axes, and if any part of the spectral display is clicked, that region will be highlighted and the specific wavenumber returned. ... -
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Argo
ARGO is a program for analysis of electronic structure calculations
The `Argo' program draws its name from ancient Greek, referencing the vessel of the same name commissioned for Jason's renowned Argonauts expedition. This choice symbolizes the pursuit of making the best use of quantum chemical calculation results. ARGO facilitates the analysis of results obtained from quantum chemistry codes, specifically Gaussian. This task is achieved through a set of Python scripts. Our code is freely available throughout the academic community with the ambition to... -
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GaussSum parses the output of ADF, GAMESS, GAMESS-UK, and Gaussian to extract useful information: progress of geometry optimisation, UV/IR/Raman spectra, MO contributions and more.
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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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bsrs-lelosq-2011
Softwares for Raman/FTIR/XANES treatments
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InstantCollegeAccess
This project intends to provide college info
College access project intends to provide college information, events, results, attendance etc from college (java/hibernate) server to Android phones via wifi. This project is under research & develoment by WeaveBytes InfoTech team. Active programmers are Raman Walia and Pradeep Khajuria under the guidance of Navjot Singh. For more details, refer <a href="http://www.weavebytes.com">WeaveBytes</a> This project was started with a purpose to connect college server with Android mobile phones. -
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Depolarization analysis tools
Tools for the accurate analysis of Raman depolarization measurement
This programme addresses the notoriously difficult problem to quantitatively link measured Raman depolarization values to theoretical polarizability tensor quantities, since quantum calculations do not incorporate experimental parameters. A numerical model is programme to calculate, for realistic experimental configurations, effective Raman line strength functions, which find their way into depolarization ratios. The model is based on interlinked integrations over the angles in the light collection path, and a finite Raman source volume along the excitation laser beam. ... -
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Analytical Information Markup Language
Open XML format for analytical chemistry and biology data.
This project supports ASTM E13.15 "Analytical Data Magement" in its work defining AnIML, an XML standard for representing, managing and interchanging analytical chemistry and biology data. -
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pyVib is a Python-based molecular graphics visualizer. It allows visualizing vibrational modes (from latest gaussian fchk files), the related IR/VCD/Raman/ROA spectra, the GCM's (group coupling matrices) and ACP's (atomic contribution patterns).
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PyDespike is a cross platform (Windows, Mac, Linux) program written in Python using the PyQt and PyQwt libraries used to graphically process (despike) raman or other spectroscopic data in an efficient manner.
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