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Welcome to UseGalaxy.EU Metabolomics

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Metabolomics.UseGalaxy.eu is a community driven metabolomics Galaxy service. The main aim is to give people a public space to discover and run metabolomics tools. If there is something that should be added, please let us know on Gitter.

During the 2019 Galaxy Community Conference (GCC2019) metabolomics users and developers are invited to meet during a Birds of a Feather (BoF) event to plan the aims of this service.

Content

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Get started

Are you new to Galaxy, or returning after a long time, and looking for help to get started? Take [a guided tour]({{ page.website }}/tours/core.galaxy_ui){:target="_blank"} through Galaxy's user interface.

Training

Want to learn more about metabolomics? Check out the following lesson tutorials from the Galaxy Trainings Network{:target="_blank"}:

Lesson Slides Hands-on Input dataset Workflows Galaxy tour
Introduction to Metabolomics {:target="_blank"}
Mass spectrometry imaging: Examining the spatial distribution of analytes {:target="_blank"} {:target="_blank"} {:target="_blank"}
Mass spectrometry imaging: Finding differential analytes {:target="_blank"} {:target="_blank"} {:target="_blank"}
Mass spectrometry: LC-MS analysis {:target="_blank"} {:target="_blank"} {:target="_blank"}
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Available Tools

Workflow4Metabolomics Tools

Tool Descirption
xcms_xcmsset [W4M][LC-MS] XCMS R Package - Preprocessing - peaks calling in NetCDF/mzXML files
xcms_group [W4M][LC-MS] XCMS R Package - Preprocessing - Group peaks from different samples together
xcms_retcor [W4M][LC-MS] XCMS R Package - Preprocessing - Correct retention time from different samples
lipidmaps_textsearch [W4M][LC-MS] LIPID MAPS Structure Database (LMSD) - Annotation - Returns annotation results from LIPID MAPS Structure Database and its Text/Ontology-based search engine.
probmetab [W4M][LC-MS] ProbMetab - automatic probabilistic LC-MS based metabolome annotation
profia [W4M][FIA-HRMS] Preprocessing of Flow Injection Analysis coupled to High-Resolution Mass Spectrometry (FIA-HRMS) data.
xcms_fillpeaks [W4M][LC-MS] XCMS R Package - Preprocessing - Integrate areas of missing peaks
camera_annotate [W4M][LC-MS] CAMERA R Package - Annotation - Returns annotation results (isotope peaks, adducts and fragments)
xcms_merge [W4M][LC-MS] XCMS R Package - Preprocessing - Merge individual xcmsSet outputs
generic_filter [W4M][Utils] Filtering according to specific variables
xcms_summary [W4M][LC-MS] XCMS R Package - Preprocessing - HTML Summary for XCMS and CAMERA analysis
camera_combinexsannos [W4M][LC-MS] CAMERA R Package - Annotation - combinexsAnnos Check CAMERA ion species annotation due to matching with opposite ion mode
batchcorrection [W4M][LC-MS] Correction of data intensities for signal drift and batch-effects.
qualitymetrics [W4M][LC-MS] Metrics and graphics to check the quality of the data.
hmdb_ms_search [W4M][LC-MS] HMDB database MS Search Package - Annotation - Returns annotation results (adducts and metabolites) from The Human Metabolome Database.
univariate [W4M][LC-MS][GC-MS][NMR] Univariate statistics.
lcmsmatching [W4M][LC-MS] Annotate LCMS spectrum using an in-house spectra database.
biosigner [W4M][LC-MS][GC-MS][NMR] Discovery of significant signatures from omics data.
multivariate [W4M][LC-MS][GC-MS][NMR] Multivariate analysis by PCA, PLS(-DA), and OPLS(-DA).
metams_rungc [W4M][GC-MS] metaMS R Package - GC-MS data preprocessing using metaMS package
withinvariation [W4M][Statistics] mixOmics R package withinVariation function for repeated mesurement design
nmr_preprocessing [W4M][NMR] NMR Preprocessing - Preprocessing (from FID to baseline correction)
nmr_alignment [W4M][NMR] NMR Alignment - Alignment of NMR spectra based on the Cluster-based Peak Alignment (CluPA) algorithm
nmr_bucketing [W4M][NMR] NMR Bucketing - Bucketing / Binning (spectra segmentation in fixed-size windows) and integration (sum of absolute intensities inside each bucket) to preprocess NMR data
nmr_normalization [W4M][NMR] NMR Normalization - Normalization (operation applied on each individual spectrum) of bucketed and integrated NMR data
normalization Normalization (operation applied on each individual spectrum) of preprocessed data
transformation [W4M][LC-MS][GC-MS][NMR] Transforms the dataMatrix intensity values.
golm_ws_lib_search [W4M][GC-MS] Golm Metabolome Database search spectrum
checkformat [W4M][LC-MS][GC-MS][NMR] Checks the formats of the dataMatrix, sampleMetadata, and variableMetadata files.
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Workflow4Metabolomics Related Tools

Tool Descirption
w4mclassfilter Filter W4M data by values or metadata
w4mjoinpn Join positive- and negative-mode W4M datasets
w4mcorcov OPLS-DA Contrasts of Univariate Results
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Gateways

Other metabolomics specialized Galaxy servers:

Servers
Workflow4Metabolomics
PhenoMeNal
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News and Events

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Contributors

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