Filter

Subjects

Content Types

Countries

AID systems

API

Data access

Data access restrictions

Database access

Database access restrictions

Database licenses

Data licenses

Data upload

Data upload restrictions

Enhanced publication

Institution responsibility type

Institution type

Keywords

Metadata standards

PID systems

Provider types

Quality management

Repository languages

Software

Syndications

Repository types

Versioning

  • * at the end of a keyword allows wildcard searches
  • " quotes can be used for searching phrases
  • + represents an AND search (default)
  • | represents an OR search
  • - represents a NOT operation
  • ( and ) implies priority
  • ~N after a word specifies the desired edit distance (fuzziness)
  • ~N after a phrase specifies the desired slop amount
Found 56 result(s)

RRUFF Project

Database of Raman spectra, X-ray diffraction and chemistry data for minerals

Subject(s)
Content type(s)
Country
The RRUFF Project is creating a complete set of high quality spectral data from well characterized minerals and is developing the technology to share this information with the world. The collected data provides a standard for mineralogists, geoscientists, gemologists and the general public for the identification of minerals both on earth and for planetary exploration.Electron microprobe analysis is used to determine the chemistry of each mineral.

NIST Atomic Spectra Database

ASD

Subject(s)
Content type(s)
Country
The Atomic Spectra Database (ASD) contains data for radiative transitions and energy levels in atoms and atomic ions. Data are included for observed transitions and energy levels of most of the known chemical elements. ASD contains data on spectral lines with wavelengths from about 0.2 Å (ångströms) to 60 m (meters). For many lines, ASD includes radiative transition probabilities. The energy level data include the ground states and ionization energies for all spectra. Except where noted, the data have been critically evaluated by NIST. For most spectra, wavelengths, transition probabilities, relative intensities, and energy levels are integrated, so that all the available information for a given transition is incorporated under a single listing. For classified lines, in addition to the observed wavelength, ASD includes the Ritz wavelength, which is the wavelength derived from the energy levels. The Ritz wavelengths are usually more precise than the observed ones. Line lists containing classified lines can be ordered by either multiplet (for a given spectrum) or wavelength. For some spectra, ASD includes lists of prominent lines with wavelengths and relative intensities but without energy-level classifications.

SWATHAtlas

SWATH Atlas

Subject(s)
Content type(s)
Country
SWATHAtlas is a repository of mass spectrometry data of the human proteome. The repository provides open access to libraries of SWATH-MS (Sequential Windowed Acquisition of All Theoretical Fragment Ion Mass Spectra) datasets. SWATH-MS is a method which combines both data-independent acquisition (DIA) and targeted data analysis techniques for the collection and storage of fragmentation spectra of peptides. Compared to techniques of selected reaction monitoring (SRM), SWATH-MS allows for a more extensive throughput of proteins in a sample to be targeted. The spectra collected in SWATHAtlas can be interpreted with the help of software such as OpenSWATH or Peakview.

Spectral Database for Organic Compounds

SDBS

Subject(s)
Content type(s)
Country
SDBS is an integrated spectral database system for organic compounds, which includes 6 different types of spectra under a directory of the compounds. The six spectra are as follows, an electron impact Mass spectrum (EI-MS), a Fourier transform infrared spectrum (FT-IR), a 1H nuclear magnetic resonance (NMR) spectrum, a 13C NMR spectrum, a laser Raman spectrum, and an electron spin resonance (ESR) spectrum.

SPECTRa Project

Submission, Preservation and Exposure of Chemistry Teaching and Research Data

Subject(s)
Content type(s)
Country
<<<!!!<<< This repository is no longer available. SPECTRa (Submission, Preservation and Exposure of Chemistry Teaching and Research Data) was a collaboration between Cambridge University and Imperial College to research issues in the deposition of chemistry data in Open Access digital repositories. Funded by the JISC (Joint Information Systems Committee) under its Digital Repositories programme, it ran from October 2005 to March 2007. Requirements for and attitudes towards data archiving and open access publication were discovered by interview and survey. This led to the development of a set of Open Source software tools for packaging and submitting X-ray crystallography, NMR spectra and computational chemistry data to DSpace digital repositories. This collection will hold reports, presentations and papers published from the project: https://www.repository.cam.ac.uk/handle/1810/183858 >>>!!!>>>

WURM Project

a database of computed physical properties of minerals

Subject(s)
Content type(s)
Country
The WURM project is a database of computed Raman and infrared spectra and other physical properties for minerals. The calculations are performed within the framework of the density-functional theory and the density-functional perturbation theory. The database is freely available for teaching and research purposes and is presented in a web-based format, hosted on the https://www.wurm.info/ web site. It provides the crystal structure, the parameters of the calculations, the dielectric properties, the Raman spectra with both peak positions and intensities and the infrared spectra with peak positions for minerals. It shows the atomic displacement patterns for all the zone-center vibrational modes and the associated Raman tensors. The web presentation is user friendly and highly oriented toward the end user, with a strong educational component in mind. A set of visualization tools ensures the observation of the crystal structure, the vibrational pattern, and the different spectra. Further developments include elastic and optical properties of minerals.

NMRshiftDB

Subject(s)
Content type(s)
Country
nmrshiftdb is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. Last not least, it features peer-reviewed submission of datasets by its users. The nmrshiftdb2 software is open source, the data is published under an open content license. Please consult the documentation for more detailed information. nmrshiftdb2 is the continuation of the NMRShiftDB project with additional data and bugfixes and changes in the software.

MoNA

MassBank of North America

Subject(s)
Content type(s)
Country
MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. It intends to serve as a the framework for a centralized, collaborative database of metabolite mass spectra, metadata and associated compounds. MoNA currently contains over 200,000 mass spectral records from experimental and in-silico libraries as well as from user contributions.

Protein Circular Dichroism Data Bank

PCDDB

Subject(s)
Content type(s)
Country
The Protein Circular Dichroism Data Bank (PCDDB) provides and accepts a circular dichroism spectra data. The PCDDB and it's parent organization, the Institute of Structural and Molecular Biology (ISMB), investigate molecular structure using techniques such as biomolecular nuclear magnetic resonance, X-ray crystallography and computational structure prediction, as methods for protein production and biological characterization.

IPB MassBank

IPB MS Database

Subject(s)
Content type(s)
Country
MassBank is the first public repository of mass spectral data for sharing them among scientific research community. MassBank data are useful for the chemical identification and structure elucidation of chemical comounds detected by mass spectrometry.MassBank system is originally designed for public sharing of reference mass spectra for metabolite identification. It is also useful for their in-house or local sharing. Recently it finds another application; sharing mass spectra of unknown metabolites for metabolite profiling. The IPB is operating the first european MassBank site, that is part of the consortial MassBank Project. You can access both the set of IPB Tandem-MS and Ion Trap spectra, as well as the other massbank sites.

mzCloud

Advanced mass spectral database

Subject(s)
Content type(s)
Country
mzCloud is an extensively curated database of high-resolution tandem mass spectra that are arranged into spectral trees. MS/MS and multi-stage MSn spectra were acquired at various collision energies, precursor m/z, and isolation widths using Collision-induced dissociation (CID) and Higher-energy collisional dissociation (HCD). Each raw mass spectrum was filtered and recalibrated giving rise to additional filtered and recalibrated spectral trees that are fully searchable. Besides the experimental and processed data, each database record contains the compound name with synonyms, the chemical structure, computationally and manually annotated fragments (peaks), identified adducts and multiply charged ions, molecular formulas, predicted precursor structures, detailed experimental information, peak accuracies, mass resolution, InChi, InChiKey, and other identifiers. mzCloud is a fully searchable library that allows spectra searches, tree searches, structure and substructure searches, monoisotopic mass searches, peak (m/z) searches, precursor searches, and name searches. mzCloud is free and available for public use online.

Golm Metabolome Database

GMD

Subject(s)
Content type(s)
Country
The Golm Metabolome Database (GMD) facilitates the search for and dissemination of reference mass spectra from biologically active metabolites quantified using gas chromatography (GC) coupled to mass spectrometry (MS)

ATOMDB

Subject(s)
Content type(s)
Country
AtomDB is an atomic database useful for X-ray plasma spectral modeling. The current version of AtomDB is primarly used for modeing collisional plasmas, those where hot electrons colliding with astrophysically abundant elements and ions create X-ray emission. However, AtomDB is also useful when modeling absorption by elements and ions or even photoionized plasmas, where X-ray photons (often from a simple power-law source) interacting with elements and ions create complex spectra.

LEDAS

LEicester Database and Archive Service

Subject(s)
Content type(s)
Country
The Leicester Database and Archive Service (LEDAS) is an easy to use on-line astronomical database and archive access service, dealing mainly with data from high energy astrophysics missions, but also providing full database functionality for over 200 astronomical catalogues from ground-based observations and space missions. The LEDAS also allows access to images, spectra and light curves in graphics, HDS and FITS formats, as well as access to raw and processed event data. LEDAS provides the primary means of access for the UK astronomical community to the ROSAT Public Data Archive, the ASCA Public Data Archive and the Ginga Products Archive by its Archive Network Interface ARNIE.

GENIE

General Internet Search Engine for Atomic Data

Subject(s)
Content type(s)
Country
<<<!!!>>> This repository is no longer available<<<!!!>>>

CHIANTI

An Atomic Database for Spectroscopic Diagnostics of Astrophysical Plasmas

Subject(s)
Content type(s)
Country
CHIANTI consists of a critically evaluated set of up-to-date atomic data, together with user-friendly programs written in Interactive Data Language (IDL) and Python to calculate the spectra from astrophysical plasmas.

EELS Data Base

Electron energy loss spectroscopy Data Base

Subject(s)
Content type(s)
Country
The EELS database is a public interactive consultable web repository of outer-shell and inner-shell excitation spectra from Electron Energy Loss Spectroscopy and X-Ray experiments, which forms a reference catalog of fine structures for materials. Each spectrum is available with a full set of recording parameters providing a complete overview of the working conditions. The database must also be seen as a research tool for EEL spectroscopists, theoreticians, students, or private firms and a central “location” for the growing EELS community.

Stark Broadening Parameters for Neutral and Singly Charged Ions

Paramètres d'élargissement Stark des éléments neutres et une fois ionisés

Subject(s)
Content type(s)
Country
<<<!!!<<<This repository is no longer available>>>!!!>>>

MassBank Europe

MassBank

Subject(s)
Content type(s)
Country
Database of mass spectra of known, unknown and provisionally identified substances. MassBank is the first public repository of mass spectral data for sharing them among scientific research community. MassBank data are useful for the chemical identification and structure elucidation of chemical compounds detected by mass spectrometry.

TCCON Data Archive

Total Carbon Column Observing Network Data Archive

Subject(s)
Content type(s)
Country
TCCON is a network of ground-based Fourier Transform Spectrometers recording direct solar spectra in the near-infrared spectral region. From these spectra, accurate and precise column-averaged abundance of CO2, CH4, N2O, HF, CO, H2O, and HDO are retrieved.

Selected constants energy levels and atomic spectra of actinides

Constantes selectionnees niveaux d'energie et spectres atomiques des actinides

Subject(s)
Content type(s)
Country
>>>!!!<<< The repository is no longer available. >>>!!!<<< The aim of the present volume is the compilation of experimental data. The Tables of energy levels are presented in a way similar to the "Atomic Energy levels the Rare Earth Elements", and incorporate additionnal data: isotope shifts and hyperfine structures. For each spectrum, they are separated in two lists of odd and even levels, the parity of the ground level being given first.

Clinical Proteomic Tumor Analysis Consortium Data Portal

CPTAC Data Portal

Subject(s)
Content type(s)
Country
The CPTAC Data Portal is the centralized repository for the dissemination of proteomic data collected by the Proteome Characterization Centers (PCCs) for the CPTAC program. The portal also hosts analyses of the mass spectrometry data (mapping of spectra to peptide sequences and protein identification) from the PCCs and from a CPTAC-sponsored common data analysis pipeline (CDAP).

ALADDIN

A Labelled Atomic Data INterface

Subject(s)
Content type(s)
Country
Numerical database of atomic and molecular processes and particle-surface interactions. ALADDIN has formatted data on atomic structure and spectra (energy levels,wave lengths, and transition probabilities); electron and heavy particle collisions with atoms, ions, and molecules (cross sections and/or rate coefficients, including, in most cases, analytic fit to the data); sputtering of surfaces by impact of main plasma constituents and self sputtering; particle reflection from surfaces; thermophysical and thermomechanical properties of beryllium and pyrolytic graphites.

INFRA-ART Spectral Library

INFRA-ART Spectral Database

Subject(s)
Content type(s)
Country
The INFRA-ART Spectral Library is an open-access integrated spectral library of artist paint materials that was designed as a digital support tool for research specialists and other heritage-related professionals that work with non- or minimally invasive spectroscopic techniques.

nmrXiv

Subject(s)
Content type(s)
Country
nmrXiv is an open, FAIR and consensus-driven NMR spectroscopy data repository and analysis platform. We archive raw and processed NMR data, providing support for browsing, search, analysis, and dissemination of NMR data worldwide.