Curator Dashboard

A data center that develops evaluated mass spectral libraries and provides related software tools that assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry). It also provides gas phase retention indices for GC. Resources include the mass spectral library, the peptide library, and a standard refernece material guide.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

THIS RESOURCE IS NO LONGER IN SERVICE, documented September 27, 2016. A software package that provides 1D and 2D NMR tools as well as processing and interpretation for all other major analytical techniques (LC/MS, IR, Raman, and more) in one package. It also has support for structure verification and multiplet reports.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

THIS RESOURCE IS NO LONGER IN SERVICE, documented October 19, 2016. A web tool for visualizing and integrating multiple inter- or intra-transcriptomic, proteomic, and metabolomic human data. 3Omics generates inter-omic correlation networks to visualize relationships in data with respect to time or experimental conditions for transcripts, proteins and metabolites.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

An R package that downloads and parses mwtab data from Metabolomics Workbench studies. Downloaded files are converted into R lists.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

R documentation for a function that performs a principal components analysis on a given data matrix and returns the results as an object of class prcomp.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

R documentation for a function to perform linear discriminant analysis; specifically, to detect if the within-class covariance matrix is singular.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

A software application of RExcel that integrates R into Excel as an embedded additon for omics tasks and analysis. It can be used specifically for tasks concerning multivariate data visualization, exploration, and analysis. imDev has interactive modules for dimensional reduction, prediction, feature selection, analysis of correlation, and generation of networked structures, all of which provide an integrated environment for systems level analysis of multivariate data.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

R documentation for hierarchical cluster analysis on a set of dissimilarities for n objects. Each object is assigned to its own cluster, which an algorithm proceeds through iteratively. Two of the most similar clusters are joined at each stage until there is a single cluster. Distances between clusters are recomputed at each stage by the Lance–Williams dissimilarity update formula according to the particular clustering method being used. Clustering methods include: Ward's minimum variance method, complete linkage method, and single linkage method.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

R interface to Chemical Translation Service which provides translation between chemical and biological database identifiers.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

A mass spectral database for organic compounds. The spectra included in the database are: electron impact Mass spectrum (EI-MS), Fourier transform infrared spectrum (FT-IR), 1H nuclear magnetic resonance (NMR) spectrum, 13C NMR spectrum, laser Raman spectrum, and electron spin resonance (ESR) spectrum.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

A metabolomics database which contains GC/MS metabolomics datasets. General users can search a curated annotated metabolite database, a metabolite response statistics database, experimental datasets, and uncurated repositories. Registered users can use Metabolome Express for data processing and management.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

A mass spectral database that assists in identifying compunds in life sciences, matabolomics, pharmaceutical research, toxicology, forensic investigations, environemnta analysis, food control, and industry.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

A library containing spectra upwards of 200,000 chemical compounds. Spectra include metabolites, peptides, contaminants, and lipids. All spectra and chemical structures are examined by professionals.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

A multistage tandem mass spectral database using a variety of structurally defined glycans. It provides tools for glycomics research that enable users to identify glycans by spectral matching. The database stores MS2, MS3, and MS4 spectra of N-and O-linked glycans, and glycolipid glycans as well as the partial structures of these glycans.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

A collection of experimental 1D and 2D J-resolved NMR spectra of 208 metabolite standards.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

An independent, non-profit organization whose main goal is to promote the growth and development of the field of metabolomics internationally. They also aim to provide collaborative opportunities among scientists in metabolomics, create connections between academia, government and industry in the field of metabolomics, provide opportunities for presentation of research achievements and creation of workshops, and promote the publication of meritorious research in the field.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

International effort whose objective is to improve and encourage the exchange of Metabolomics data. Datasets are stored in external data repositories independent of MetabolomeXchange; however, MetabolomeXchange allows users to browse datasets directly then proceed to the external repository for more information.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

A cross-species, cross-technique database for metabolomics experiments, data, and derived information. It includes metabolite structures and their reference spectra, their biological roles, locations and concentrations, and experimental data from metabolic experiments.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

A group which aims to create open standards for metabolomics data shsaring and analysis.

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• SciCrunch
• 10 years ago - submitted by Kristen Jensen

Statistical analysis toolbox for MEG and EEG. There are three primary data-objects: Factor for categorical variables, Var for scalar variables, and NDVar for multidimensional data. Factor is a container for one-dimensional, categorial data – each case is described by a string label. Var is a container to associate one-dimensional numpy.ndarray objects with a name. NDVars offer numpy functionality that takes into account the dimensions. There is also a Dataset class which acts as a vessel for variable objects (Factor, Var and NDVar) describing the same cases.

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• SciCrunch
• 10 years ago - by Anonymous