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--- tools [2022/01/14 12:34]
cjoblin
+++ tools [2022/01/14 15:55] (current)
pah [* Qchitool]
@@ Line 3: / Line 3: @@
 ===== * PAHTAT =====
 ** Description ** \\
-PAHTAT are infrared spectral templates to be used for the interpretation of astronomical spectra containing Polycylic Aromatic Hydrocarbon emission. [[https://doi.org/10.1051/0004-6361/201015915]]\\
+The PAHTAT tool aims to analyze astronomical mid-infrared spectra containing PAH emission. It uses spectral templates that were derived from observations. [[https://doi.org/10.1051/0004-6361/201015915]]\\
 ** Tool access **
 [[http://userpages.irap.omp.eu/~cjoblin/PAHTAT/Site/PAHTAT.html]]
@@ Line 9: / Line 9: @@
 ===== *  mMass_updated =====
 ** Description ** \\
-[[Mmass]] is an open source mass spectrometry tool, mostly written in python language.
+**mMass_updated** is a modified version of[[http://www.mmass.org/|mMass|]] with new functionalities such as double bond equivalent calculation and separation into families of compounds (compatible with 64-bit MacOS). [[tools:mmass_u|More]]\\
-**Mmass_updated** has been developed to add new functionalities such as double bond equivalent calculation and separation into families of compounds and be compatible with 64-bit MacOS.\\
 ** Tool access **
 //planned in 2022//
-===== *  Qchitools =====
+===== *  Qchitool =====
 ** Description ** \\
-QChITool (acronym for Quantum Chemistry Import Tool) is a web application, written using the Django platform, that is meant to make as automatic as possible the extraction of (some) information directly from the log files of pertinent quantum chemistry calculations, and import them in the database of the theoretical PAH database. The tool, which is open source, is currently already able to import calculations done with the NWChem and Gaussian codes. Work is underway to add support for calculations done with the Octopus code.\\
+QChITool is a web application for easy extraction of information from the log files of some quantum chemistry calculations, and import in the theoretical PAH database. [[tools:qchitool|More]]\\
 ** Tool access **
-[[http://astrochemistry.oa-cagliari.inaf.it/database/]]
+[[https://qchitool-pah.oa-cagliari.inaf.it]]  (restricted use of the tool to add data to the PAH database)
 ===== *  cosmicPAHmfit =====
 ** Description ** \\
-cosmicPAHmfit is a python fitting tool. It performs a multi-component fit of the selected spectral feature using pseudo-Voigt functions (linear combination of a Gaussian curve and of a Lorentzian curve modified by an asymmetry factor). It computes the area-weighed peak position and width of the feature. It has a graphical interface to select the spectral feature of interest as well as the number of components to be included in the fit.\\
+cosmicPAHmfit provides a multi-component spectral fit and a graphical interface to derive area-weighed peak position and width of selected infrared features. [[tools:mfit|More]]\\
 ** Tool access **
 //planned in 2022//
@@ Line 28: / Line 28: @@
 ===== *  AIBsimulator =====
 ** Description ** \\
-Aromatic Infrared Bands (AIBs) observed in astronomical environments are generally attributed to emission from PAHs excited by UV photons from stars. The AIBsimulator is a simulator for a fast calculation of the emission of a given PAH in a given radiation field. The simulator will provide a library of synthetic AIB spectra based on theoretical and experimental molecular data, at the accuracy and sensitivity level required to match coming James Webb Space Telescope observations.
+The AIBsimulator is a simulator for a fast calculation of the emission of a given PAH in a given radiation field. The synthetic spectra are based on theoretical and experimental molecular data. [[tools:aibsim|More]]\\

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