Summary
spectroscopy
photons-and-neutrons spectroscopy
This metapackage will install all X-ray photons-and-neutrons PAN spectroscopy
packages (XPS, ARPES, IXS, ...).
Description
For a better overview of the project's availability as a Debian package, each head row has a color code according to this scheme:
If you discover a project which looks like a good candidate for PAN Blend
to you, or if you have prepared an unofficial Debian package, please do not hesitate to
send a description of that project to the PAN Blend mailing list
Links to other tasks
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PAN Blend spectroscopy packages
Official Debian packages with high relevance
dmrgpp
algorithme de Groupe de Renormalisation de la Matrice Densité (DMRG)
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Versions of package dmrgpp |
Release | Version | Architectures |
trixie | 6.06-2 | amd64,arm64,armhf,i386,mips64el,ppc64el,s390x |
sid | 6.06-2 | amd64,arm64,armhf,i386,mips64el,ppc64el,riscv64,s390x |
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License: DFSG free
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DMRGPP/DMRG++ est une implémentation de l’algorithme de Groupe de Renormalisation de la Matrice Densité (DMRG) qui essaie de trouver la fonction d’onde d’état de produit de matrice (MPS) pour les plus basses énergie correspondant à l’énergie totale du système. DMRGPP intègre l’utilitaire PsimagLite pour obtenir les codes pour la simulation d’électrons fortement corrélés.
Ce paquet fournit l’exécutable dmrg et des assistants, construits en utilisant OpenBLAS.
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etsf-io
Binary tools to check, merge and read ETSF files
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Versions of package etsf-io |
Release | Version | Architectures |
trixie | 1.0.4-5 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,s390x |
bookworm | 1.0.4-5 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 1.0.4-5 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 1.0.4-4 | amd64,arm64,armhf,i386 |
jessie | 1.0.3-4 | amd64,armel,armhf,i386 |
stretch | 1.0.4-1.1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
sid | 1.0.4-5 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
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License: DFSG free
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The European Theoretical Spectroscopy Facility (ETSF) is a European
network dedicated to providing support and services for ongoing
research in academic, government and industrial laboratories.
The ETSF is divided into 7 beamlines, each of which is concerned with
a specific scientific topic:
- Optics ;
- Energy Loss Spectroscopy ;
- Quantum Transport ;
- Time-resolved Spectroscopy ;
- Photo-emission Spectroscopy ;
- Vibrational Spectroscopy ;
- X-Rays Spectroscopy.
To allow the adoption of its recommendations about standardization, the
ETSF proposes different libraries and tools implementing or using these
specifications, as well as widely usable pieces of software.
ETSF_IO is a library of F90 routines to read/write the ETSF file format.
This package contains the user tools to:
- check file conformance to the specifications;
- extract data from files;
- merge multiple files from parallel runs, as specified in the
specifications.
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mantis-xray
Multivariate ANalysis Tool for x-ray Spectromicroscopy
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Versions of package mantis-xray |
Release | Version | Architectures |
bookworm | 3.0.11-4 | all |
sid | 3.1.15-1 | all |
trixie | 3.1.15-1 | all |
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License: DFSG free
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Spectromicroscopy combines spectral data with microscopy, where
typical datasets consist of a stack of microscopic images taken
across an energy range. Due to the data complexity, manual analysis
can be time consuming and inefficient, whereas multivariate analysis
tools not only reduce the time needed but also can uncover hidden
trends in the data.
Mantis is Multivariate ANalysis Tool for Spectromicroscopy developed
in Python by 2nd Look Consulting. It uses principal component
analysis and cluster analysis to classify pixels according to
spectral similarity.
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pymca
applications et boite à outils pour l’analyse de fluorescence de rayons X – scripts
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Versions of package pymca |
Release | Version | Architectures |
buster | 5.4.3+dfsg-1 | all |
stretch | 5.1.3+dfsg-1 | all |
jessie | 4.7.4+dfsg-1 | amd64,armel,armhf,i386 |
bullseye | 5.6.3+dfsg-1 | all |
trixie | 5.9.2+dfsg-2 | all |
sid | 5.9.2+dfsg-2 | all |
bookworm | 5.8.0+dfsg-2 | all |
bookworm-backports | 5.8.7+dfsg-2~bpo12+1 | all |
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License: DFSG free
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PyMca est un ensemble d’applications et de bibliothèques de Python pour
l’analyse de spectre de fluorescence des rayons X.
Les applications incluses dans ce paquet sont :
– edfviewer : affichage et inspection de fichiers de données au
format de données ESRF ;
– elementsinfo : affichage de données de rayons X d’élément spécifique ;
– mca2edf : conversion des fichiers MCA SPEC vers EDF ;
– peakidentifier : affichage de pics de fluorescence X dans une gamme
d’énergie donnée ;
– pymcabatch : ajustement par lot de spectre ;
– pymcapostbatch : post-traitement des résultats d’ajustement par lot ;
– pymca : analyse de données interactive ;
– pymcaroitool : outil de zone d’intérêt (ROI) d’imagerie.
La boîte à outils PyMca peut lire les fichiers de données aux formats
SPEC,
ESRF data file (EDF), OMNIC, HDF5, AIFIRA et SupaVisio.
Il s’agit des scripts du paquet.
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python3-arpys
analyse de données de spectroscopie photoélectronique résolue en angle (ARPES)
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Versions of package python3-arpys |
Release | Version | Architectures |
bullseye | 2.0.2-3 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 1.0.0~git20230217101414.07b63b3-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 1.0.0~git20230217101414.07b63b3-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,s390x |
bookworm | 2.0.2-3 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
upstream | 1:1.0.0~git20230217101414.07b63b3 |
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License: DFSG free
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Il s’agit d’une collection de bibliothèques, de fonctions et d’outils
concernant le chargement et l’analyse de données de spectroscopie
photoélectronique résolue en angle (ARPES – Angle Resolved PhotoEmission
Spectroscopy).
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python3-codraft
Signal and image processing software
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Versions of package python3-codraft |
Release | Version | Architectures |
sid | 2.2.1-3 | all |
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License: DFSG free
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CodraFT is a generic signal and image processing software based on
Python scientific libraries (such as NumPy, SciPy or scikit-image)
and Qt graphical user interfaces (thanks to guidata and guiqwt.
CodraFT stands for "CODRA Filtering Tool".
CodraFT is available as a stand-alone application or as an addon to
your Python-Qt application thanks to advanced automation and
embedding features.
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python3-igor
read files written by WaveMetrics IGOR Pro
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Versions of package python3-igor |
Release | Version | Architectures |
bullseye | 0.3-3 | all |
bookworm | 0.3-4 | all |
trixie | 0.3-4 | all |
sid | 0.3-4 | all |
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License: DFSG free
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Python parsers for Igor Binary Waves (.ibw) and Packed Experiment
(.pxp) files written by WaveMetrics’ IGOR Pro software.
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python3-navarp
outil de navigation pour les données ARPES – Python 3
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Versions of package python3-navarp |
Release | Version | Architectures |
trixie | 1.6.0-2 | all |
bookworm | 1.3.0-1 | all |
sid | 1.6.0-2 | all |
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License: DFSG free
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NavARP fournit un outil de navigation pour les données de spectroscopie
photoélectronique résolue en angle (ARPES – Angle Resolved Photoemission
spectroscopy). NavARP est une application d’aide durant l’acquisition de
données ARPES (comme lors du temps alloué d’utilisation du faisceau) et un
ensemble de bibliothèques dédiées pour obtenir des représentations de
haute qualité pour leur publication.
Ce paquet installe l’utilitaire pour Python 3.
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python3-orange-spectroscopy
Extends Orange to handle spectral and hyperspectral analysis
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Versions of package python3-orange-spectroscopy |
Release | Version | Architectures |
sid | 0.6.10-4 | all |
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License: DFSG free
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Orange add-on for spectral data analysis. Provides spectra and
hyperspectra plotting, interpolation, preprocessing (cutting, smoothing,
normalization), and integration. Supports common spectral file formats.
Features
### Load and process data
- Load the spectroscopy data
- Preprocess and interpolate spectra
- Integrate spectra
- Average spectra
- Performs Fast Fourier Transform
### Visualisation
- Visually explore series of spectra
- Plots 2D map of hyperspectra
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python3-phonopy
phonon calculations at harmonic and quasi-harmonic levels (Python 3)
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Versions of package python3-phonopy |
Release | Version | Architectures |
trixie | 2.23.1-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,s390x |
sid | 2.23.1-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 2.17.1-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
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License: DFSG free
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Phonopy is an open source package for phonon calculations at harmonic and
quasi-harmonic levels.
This package contains Python 3 module.
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python3-pyimagetool
Image Tool for multidimensional analysis (Python 3)
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Versions of package python3-pyimagetool |
Release | Version | Architectures |
bookworm | 1.0-2 | all |
sid | 1.0-2 | all |
trixie | 1.0-2 | all |
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License: DFSG free
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Python Image Tool can be used to visualise analysis of data in
microscopy (STM, SSM, optics), ARPES, XRD, or other multidimensional
datasets on regularly gridded coordinates.
This package installs the module for Python 3 and an
example helper script to create a writeable data cache.
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python3-pymatgen
Python Materials Genomics for materials analysis
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Versions of package python3-pymatgen |
Release | Version | Architectures |
sid | 2024.1.27+dfsg1-7 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 2022.11.7+dfsg1-11 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 2024.1.27+dfsg1-7 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,s390x |
upstream | 2024.5.1 |
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License: DFSG free
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Pymatgen (Python Materials Genomics) is a robust, open-source Python
library for materials analysis. These are some of the main features:
1.Highly flexible classes for the representation of Element, Site,
Molecule, Structure objects.
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Extensive input/output support, including support for VASP
(http://cms.mpi.univie.ac.at/vasp/), ABINIT (http://www.abinit.org/),
CIF, Gaussian, XYZ, and many other file formats.
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Powerful analysis tools, including generation of phase diagrams,
Pourbaix diagrams, diffusion analyses, reactions, etc.
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Electronic structure analyses, such as density of states and band
structure.
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Integration with the Materials Project REST API, Crystallography
Open Database.
This package provides the pymtgen module for Python 3.
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python3-spectral
process hyperspectral imagery
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Versions of package python3-spectral |
Release | Version | Architectures |
sid | 0.22.4-1 | all |
trixie | 0.22.4-1 | all |
bookworm | 0.22.4-1 | all |
upstream | 0.23.1 |
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License: DFSG free
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Pure Python module for processing hyperspectral image data (imaging
spectroscopy data). It has functions for reading, displaying,
manipulating, and classifying hyperspectral imagery.
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python3-xrstools
outils pour la diffusion Raman de rayons X – Python 3
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Versions of package python3-xrstools |
Release | Version | Architectures |
sid | 0.15.0+git20210910+c147919d-3 | amd64 |
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License: DFSG free
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Il s’agit d’une collection d’outils et de modules de Python 3 pour
extraire et analyser des données de diffusion Raman de rayons X (XRS
– x-ray Raman scattering) d’ID20 d’ESRF (European Synchrotron Radiation
Facility – Installation européenne de rayonnement synchrotron).
XRS_wizard est omis jusqu’à sa prise en charge avec Qt5.
Ce paquet installe la bibliothèque pour Python 3.
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spview
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Versions of package spview |
Release | Version | Architectures |
trixie | 2.0.2-1 | all |
sid | 2.0.2-1 | all |
bullseye | 2.0.0~beta2-2 | all |
bookworm | 2.0.1-1 | all |
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License: DFSG free
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SPVIEW is a multiplatform Java application that allows graphical assignment of
high-resolution molecular spectra. It is possible to load, display and
manipulate experimental and simulated spectra (XY ASCII or OPUS formats) as
well as stick spectra in various formats (including HITRAN format).
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