dataesr/scientific-paragraphs-categorization huggingface dataset:
Spectroscopy of atoms and molecule (SESAM) SESAMs is devoted to the spectroscopic analysis of UV electronic spectra of diatomic molecules. Data for H 2 , HD, D 2 and CO are presently available as a whole dataset or can be searched within a defined wavelength window. Other selection criteria are available such as the energy of the lower (upper) level of the transition and the oscillator strength value. The data are obtained from theoretical calculations which include rotational and radial perturbations between electronic potential curves  (Abgrall et al 1993 (Abgrall et al , 1994)). They have been tested carefully against experimental values when available  (Abgrall et al 1994 , Liu et al 2007 , Gabriel et al 2009). They are useful in various contexts, ranging from plasma laboratories  (Gabriel et al 2009)  to planetary  (Barthélemy et al 2014) , interstellar  (France et al 2011 (France et al , 2012 (France et al , 2014) )  or extragalactic environments  (Salumbides et al 2015).
Polycyclic aromatic hydrocarbon (PAH) The Cagliari-Toulouse PAH theoretical spectral database  (Malloci et al 2007 ) is a joint effort by the groups of Mulas (INAF-OAC) and Joblin (Univ. Toulouse III/CNRS-IRAP), aimed at providing all the 'ingredients' needed for modelling of the photophysics of individual PAHs in space, mainly in photon-dominated interstellar and circumstellar environments. It includes basic structural properties of PAHs in four charge states (-1, 0, +1, and +2), ionisation potentials and electron affinities, harmonic vibrational analyses, vertical photoabsorption electronic spectra. Recent examples of the use of the data in this database are e. g. Berné et al (2015) ,  Zhen et al (2015) ,  Zonca et al (2015). All these data were obtained in the framework of the density functional theory, (see Jones 2015 for a recent review), and some on-going work (van Mourik 2014), in its time-independent formulation for ground electronic state properties and in its time-dependent formulation for photoabsorption spectra.
Kinetic database for astrochemistry (KIDA) The KIDA  (Wakelam et al 2012) , is a compilation of kinetic data (chemical reactions and associated rate coefficients) used to model the chemistry in astrophysical environments (the interstellar medium, protoplanetary disks, planetary atmospheres etc). In addition, to detailed information of each reaction (temperature range of validity of the rate coefficients, reference, uncertainty etc), particular attention is given to the quality of the data which is evaluated by a group of experts in the field. The 2014 update has just been released  (Wakelam et al 2015). KIDA is hosted at http://kida. obs. u-bordeaux1. fr.
UDfA The UMIST database for astrochemistry (McElroy et al 2013) contains reaction rate coefficients and related material for the study of chemical kinetic modelling of astronomical sources, including molecular clouds, CSEs and shocked gas. The main part of the database Rate12, which is the fifth public release of the data, is a set of 6173 gas-phase reactions and temperaturedependent rate coefficients among 467 species and involving 13 elements  (McElroy et al 2013). In this release particular emphasis has been placed on identifying the source of the data; DOI codes and web links to the original papers are provided where possible. In parallel, a comprehensive, searchable web site has been developed which includes other relevant data including deuterium exchange reactions and state-selective ortho-para reactions among hydrogen and deuterium, both of which are essential for calculations of deuterium fractionation in interstellar clouds, a set of binding energies for atoms and molecules on interstellar ices and a set of three-body reactions and rate coefficients that are important at very high densities.
BASECOL The BASECOL2012 database  (Dubernet et al 2013)  is a repository of collisional data. It contains rate coefficients for the collisional excitation of rotational, ro-vibrational, vibrational, fine, and hyperfine levels of molecules by atoms, molecules, and electrons, as well as fine-structure excitation of some atoms, that are relevant to interstellar and circumstellar astrophysical applications. In addition, BASE-COL2012 provides spectroscopic data queried dynamically from various spectroscopic databases using the VAMDC technology. These spectroscopic data are conveniently matched to the in-house collisional excitation rate coefficients using the SPECTCOL software package  (Dubernet et al 2012) , and the combined sets of data can be downloaded from the BASECOL2012 website. As a partner of the VAMDC, BASECOL2012 is accessible both from the general VAMDC portal and from user tools such as SPECTCOL.
Submissions of newly published collisional rate coefficients sets are critically evaluated before inclusion in the database which is hosted at http://basecol. obspm. fr. The BASECOL database contains explicit citations to all source data; the authors' publications can be easily retrieved from the BASECOL website and from both the SPECTCOL tool and the VAMDC portal through the 'bibtex' visualisation software. molecular ions and the corresponding averaged thermal photodissociation cross-sections. MOLD is hosted at the Belgrade Astronomical Observatory, http://servo. aob. rs.
Laboratorio di Astrosica Sperimentale (LASP) The database is maintained by the 'Laboratorio di Astrofisica Sperimentale' (Catania-LASp for short), Catania, Italy. LASp spectra are taken by using in situ techniques and equipment especially developed to analyse the effects of irradiation (ion and/or UV photons) and thermal cycling (down to 10 K) by infrared, Raman and UV-VIS-NIR spectroscopy. Analysed materials include frozen gases, solids samples and meteorites. The main application field up until now has been in astrophysics, and over the years many hundreds of ice mixtures of various compositions and of solids have been studied  (Baratta et al 1991 , Strazzulla et al 1991 , Baratta et al 1994  The GhoSST database provides experimental data and products on: (1) transmission spectra of ices, sulfur compounds, minerals, organic and meteoritic material in the wavelength range from the visible to the far-IR; (2) absorption coefficients and optical constants of ices; (3) bidirectional diffuse reflection spectra of granular surfaces (hydrated minerals, adsorption on minerals, ices, natural and synthetic organic materials, meteorites,.
) from Visible to near-IR; (4) bidirectional reflection spectra of granular surfaces simulated with a radiative transfer model (Spectrimag) using laboratory optical constant data; (5) infrared micro-spectroscopy of minerals, natural organics, and meteorites; (6) Raman and fluorescence micro-spectroscopy of cosmomaterials (meteorites, IDPs, Stardust,. ) and planetary analogs; (6) lists of vibration bands of molecular solids and molecules adsorbed on solids, from Visible to far-IR. Only the linelists are currently accessible from the VAMDC The GhoSSt database is hosted at http:// ghosst. osug. fr/.
Desire-dream The main purpose of DESIRE (database on sixth row elements) is to provide the scientific community with updated spectroscopic information concerning the sixth row elements (Z = 72-86) of the periodic table in their lowest ionisation stages. In the tables, the spectra are classified by elements, and for a given element, by degree of ionisation. For each spectrum, the tables show the wavelengths (in Å) derived from the experimental levels, the lower and upper levels (in cm -1 ) of the transitions, the calculated weighted oscillator strengths (log gf) and transition probabilities (gA in s -1 ), and the cancellation factors. The radiative rates listed in this database have been obtained by the Atomic Physics and Astrophysics group of Mons University, Belgium, by means of a systematic and extensive use of the pseudo-relativistic Hartree-Fock (HFR) method  (Cowan 1981 ) modified for taking core-polarisation effects into account (HFR+CPOL)  (Quinet et al 1999 (Quinet et al , 2002)).
Most of these theoretical results have been validated by the good agreement obtained when comparing computed radiative lifetimes and accurate experimental values measured by the time-resolved laserinduced fluorescence technique. The DESIRE database is hosted at http://hosting. umons. ac. be/html/agif/databases/ desire. html. DREAM (Database on Rare-Earths At Mons University) contains information concerning the wavelengths, the oscillator strengths and the transition probabilities for spectral lines of neutral and lowly ionised lanthanides (Z=57-71). The format of the tables as well as the methods used for obtaining the listed values are the same as for DESIRE. DREAM is hosted at http://hosting. umons. ac. be/html/agif/ databases/dream. html.
ALADDIN2 The International Atomic Energy Agency (IAEA) ALADDIN (originally 'a labelled atomic data interface') database contains numerical data on atomic and molecular collision processes that are relevant to fusion energy and other plasma applications as well as data on plasma-material interaction processes. The name goes back to a data exchange format developed in the fusion atomic and molecular data community in the 1980s  (Hulse 1990 ), but the present database at IAEA is based on SQL and XSAMS is used for data exchange. ALADDIN2 is a subset of ALADDIN accessible through the VAMDC interface and containing at this time only the gas-phase collisional differential and integrated cross sections and rate coefficients. Data in ALADDIN and ALADDIN2 have largely been produced in coordinated research projects or other activities sponsored by the IAEA or they have been evaluated under auspices of the IAEA.
RADAM databases Some databases aimed at the radiation damage community have lately adopted the VAMDC standards and are therefore currently accessible in VAMDC: RADAM-ION, IDEABD and BeamDB. Those databases are part of a collaboration that has a created the RADAM portal at http://radamdb. mbnresearch. com/. 3. 26. 1. IDEABD. The innsbruck dissociative electron attachment (DEA) database node holds relative cross sections for dissociative electron attachment processes of the form: AB + e - A -+ B, where AB is a molecule. It supports querying by various identifiers for molecules and atoms, such as chemical names, stoichiometric formulae, InChI (-keys) and CAS registry numbers. These identifiers are searched both in products and reactants of the processes. It then returns XSAMS files describing the processes found including numeric values for the relative cross sections of the processes.
DEA processes have several areas of importance, among which are technical applications, biological effects in radiation damage and extra-terrestrial ion chemistry, which makes this node interesting for the astrophysical and astrochemical community. The node is hosted at the University of Innsbruck, Austria and maintained by the group of Paul Scheier. New datasets will be added in the future and contributions are highly welcome. IDEABD is hosted at http://ideadb. uibk. ac. at/.
RADAM-ION. The RADAM-ION database concerns ion interactions with biomolecular system. Currently the RADAM-ION database compiles data on cross sections for elastic and inelastic collisions, for ionisation and charge transfer characterising the interaction of singly and multiply charged ions with biomolecules and biomolecular complexes. These data correspond to total and differential cross sections as well as fragmentation mass spectra (including tables of ion yield) of the biomolecular system in interaction with ions. Additional information on secondary particle production (electrons, radicals) will be included in a second step. It is hosted at http://radam. unicaen. fr/. 3. 26. 3. BeamDB. BeamDB  (Marinković et al 2015)  contains measured collisional data for electron interactions with atoms and molecules in the form of differential and integrated cross sections as well as energy loss of the spectra.
LXCAT LXCAT  (Pancheshnyi et al 2012)  is an open-access website for collecting, displaying, and downloading electron and ion scattering cross sections, swarm parameters (mobility, diffusion coefficient, etc), reaction rates, energy distribution functions and other data required for modelling low temperature plasmas. The available data bases have been contributed by members of the community and are indicated by the contributor's chosen title. The LXCAT website is hosted at http://www. lxcat. net/. The following contributors to LXCAT have chosen to open their data within the VAMDC e-infrastructure and LXCAT maintains this VAMDC access. (2) link it to the VAMDC portal for wider visibility. IAMDB (www. iamdb. co. in) is currently being developed to incorporate data from all the Indian atomic and molecular research groups.
Each node in the database is developed independently and the collision node will be ready soon. Later all the nodes will be assembled together to form the complete IAMDB database which will consist of: (1) a collisional data node; (2) an atomic spectroscopy data node; (3) a molecular spectroscopy data node. 3. 28. 1. The collisional data node. The atomic and molecular physics group at Indian School of Mines, Dhanbad in collaboration with Tata Institute of Fundamental Research and Sardar Patel University is setting up a database on collision cross section for atoms and molecules (iamdb. co. in). This is a general version of the previous database (electron collision cross section, e-atmol. in) with data from ion collisions, photon collisions and spectroscopy. The iamdb. co. in contains data on electron scattering cross section for many atoms and molecules in their gaseous form, published in peer-reviewed papers  (Goswami et al 2013 , Gupta and Antony 2014 , Nagma and Antony 2014 , Kaur et al 2015).
Web portal The portal(http://portal. vamdc. eu) is the main single entry point to all VAMDC connected databases. It provides immediate visibility for the available data in the VAMDC connected databases, and in many cases can be the first step towards discovering data since those databases will respond if they contain the requested data. The portal contains several sections: the 'VAMDC Databases' section provides a general description of the VAMDC connected databases and allows display of the species that are available in each database; the 'Guided Query' section is new and provides a query interface for beginners where users are guided step-by-step; the 'Advanced Query' section allows more flexibility in interrogating the databases; The 'info' section provides a link to tutorials which provide a full understanding of the portal's capabilities.
Once a query is performed, the user is invited to choose one of the possible tools to visualise the data. These tools are homogeneous between the databases and the description of the retrieved data, in particular of quantum numbers, is also the same across all databases. Such uniformity means that the portal cannot offer the same services as a traditional graphical user interface of the individual databases. This is the price paid for accessing a wide range of data stored in a heterogeneous fashion. Nevertheless, where possible, specific visualisation software is associate with each database. Currently this visualisation software is accessible from '-Choose display-' of the result page (see figure  3 ), the tools labelled with stars being those that are recommended. The result page is under continuous development in order to meet evolving user needs.
Services to include new databases The current VAMDC e-infrastructure includes databases related to atomic and molecular spectroscopy and to heavy particle collisional processes, and is appropriate to the type of currently accessible data. Any producer of data can join the VAMDC infrastructure through one of the following methods: (1) they can include their data in existing atomic and molecular databases that are partners of VAMDC; (2) they can create a new database hosted by a partner of VAMDC; (3) they can create a new node in the VAMDC e-infrastructure. VAMDC aims to provide atomic and molecular data providers and compilers with a large dissemination platform for their data. Currently all products related to VAMDC, portal and tools, explicitly encourage users to cite both the original papers where the data have been published and the relevant databases.
Libraries and software The libraries, software modules and software can be found on the VAMDC website 46. The integration of the libraries are documented, supported via tutorials and illustrated by scientific case studies  (Dubernet et al 2014). Up till now case studies have concentrated on astrophysical applications since the traditional VAMDC collaborators come from the astrophysics communities. As an example of this, the SPECTCOL tool  (Dubernet et al 2012)  matches spectroscopic data from CMDS  (Mueller et al 2005)  and JPL  (Pickett et al 1998)  with collisional data from BASECOL  (Dubernet et al 2013)  for interstellar applications. The client tool interrogates the registry to find spectroscopic and collisional information about a molecule. It retrieves different possible sets of data from different databases.
The user can associate sets of their own choice to create a customised combination of spectroscopic and collisional data. This automatically resolves the common difficulty met by researchers wishing to combine collisional data from a database such as BASECOL with spectroscopic data coming from other native databases such as CDMS, JPL or any other spectroscopic databases. Combining data involves matching molecular states that are very often described differently in JPL, CDMS and BASECOL. This problem is now resolved easily using XSAMS. A recent example of application of the SPECTCOL tool has been to the study of protoplanetary disks  (Öberg et al 2015). Another example is access of VAMDC connected databases through the BASS2000 web portal(http://bass2000. obspm. fr)that provides access to a wide range of the solar spectra, from 67 to 5400 nm.
Two astrophysical software packages have implemented access to the VAMDC e-infrastructure, to provide the capability of analysing interstellar medium spectra. One package is the standalone software called CASSIS (http://cassis. irap. omp. eu),the other is a toolbox (http://www. astro. uni-koeln. de/projects/schilke/myXCLASSInterface)for the common astronomy software applications package that includes the MyXClass program  (Moeller et al 2015). Finally SPECVIEW (http://www. stsci. edu/institute/ software_hardware/specview/) is a tool for 1D spectral visualisation and analysis of astronomical spectrograms from STScI that can overplot spectral line identifications taken from a variety of line lists, including user-supplied lists. SPECVIEW has been modified to include the VAMDC query module, called QueryBuilder 47  , thus providing the full capability to query the VAMDC databases.
The aim of this working group is to create an identification mechanism that allows VAMDC services to identify and to cite selected views of data, ranging from a single record to an entire database, the identification includes a timestamp. The VAMDC has fully implemented the RDA recommendations 49 : we are refining our standards (mainly the XSAMS format) and databases in order to support both data versioning, so that an earlier state of data can be retrieved at later time, and timestamping, so that modification and addition of data are marked with a timestamp. These evolutions are necessary for the scientific usage of atomic and molecular data retrieved through the e-infrastructure as it will ensure the traceability of data in user applications codes.
Conclusion The VAMDC is not a database; rather is a facility which allows data to be federated from many different databases with overlapping but different remits. Implementation of the VAMDC portal has required the development of a novel data language, XSAMS, to allow the participating databases to be automatically queried, and implementation of common molecule and quantum number identification schemes, allowing data from heterogeneous databases to be both compared and merged. Software products, such as SPECT-COL, are being developed which exploit the functionality offered by combining data from several sources. It is anticipated that as the scope and use of VAMDC increases, a number of similar products will emerge. The VAMDC Consortium is open to new members and to the inclusion of new types of data.
(Brunetto and Roush 2008) andal 2013, Sabri et al 2015). Through the VAMDC portal, transmission and optical depth data for water-ice experiments are available for the temperature range from 12. 5 to 150 K(Baratta et al 2003, Leto and Baratta 2003). The public database also includes optical constants of solid state CO, CO 2(Baratta and Palumbo 1998, Palumbo  et al 2006), and CH 4(Brunetto and Roush 2008)deposited at various temperatures. LASP is hosted at http://vamdclasp. oact. inaf. it/GUI/index and additional information can be found at http://web. ct. astro. it/weblab/.
Some angle-differential data, as well as angle-integrated results for transitions between and ionisation from excited states are available from the authors upon request. The calculations were performed with a parallelised version of the B-spline R-matrix code described by (Zatsarinny 2006). Details of the method and references to many recent calculations can be found in a recent Topical Review (Zatsarinny and Bartschat 2013). 3. 27. 3. UNAM database. The UNAM database (de Urquijo et al 2011, 2013, 2014) contains measured swarm data for the interactions of low energy electrons and ions with rare gases (He, Ne, Ar, Xe), atmospheric gases (O 2 , N 2 , H 2 O, N 2 O, CO 2 ), hydrocarbons (CH 4 ), fluorocarbons (CF 4 , C 2 F 6 , CHF 3 , C 2 F 6 , CF 3 I and C 2 H 2 F 4 ), and SF 6. The data are in the form of swarm coefficients (electron drift velocities, ionisation, attachment, electron detachment and diffusion coefficients, ion-molecule reaction rates, all as a function of the densitynormalised electric field intensity, E/N).
Overall, the interaction energy range is 0. 025-100 eV. An update with binary mixtures of H 2 O and other gases is in preparation. 3. 27. 4. ETHZ database. The ETHZ database contains the effective ionisation rate and the electron drift velocity in various gases, such as N 2 , CO 2 , Ar and several fluorocarbon gases. These data are obtained experimentally using the pulsed Townsend method (Dahl et al 2012) in the high voltage laboratory from ETH Zurich. Nandi et al 2005, Ram et al 2009, Vinodkumar et al 2011, Gupta and Antony 2014, Kaur et al 2015). Thus there is an enormous amount of high quality experimental (Krishnakumar et al 1997, Prabhudesai et al 2008, Rawat et al 2008) and theoretical data (Vinodkumar et al 2012, Barot et al 2013, Goswami et al 2013, Nagma and Antony 2014) on atomic and molecular processes being produced by the Indian research community.
Acknowledgments Support for VAMDC has been provided through the VAMDC and the  SUP@VAMDC  projects funded under the ' Combination of Collaborative Projects and Coordination and Support Actions' Funding Scheme of The Seventh Framework Program. Call topic:  INFRA-2008-1. 2. 2  and  INFRA-2012 Scientific Data Infrastructure. Grant Agreement numbers:  239108  and  313284. In addition we acknowledge support from  Paris Astronomical Data Center. The UK nodes acknowledge support from the  UK Science and Technology Facilities Council (STFC)  under grants  ST/M007731/1 ,  ST/ M007774/1  and  ST/M007766/1. Portions of the research described in this paper were performed at the  Jet Propulsion Laboratory, California Institute of Technology , under contract with the  National Aeronautics and Space Administration.