Workflow Type: Galaxy
Frozen
This workflow is composed with the XCMS tool R package (Smith, C.A. 2006) able to extract and the metaMS R package (Wehrens, R 2014) for the field of untargeted metabolomics.
Inputs
ID | Name | Description | Type |
---|---|---|---|
Mass-spectrometry Dataset Collection | Mass-spectrometry Dataset Collection | n/a |
|
sampleMetadata | sampleMetadata | n/a |
|
Steps
ID | Name | Description |
---|---|---|
2 | MSnbase readMSData | toolshed.g2.bx.psu.edu/repos/lecorguille/msnbase_readmsdata/msnbase_readmsdata/2.16.1+galaxy2 |
3 | xcms findChromPeaks (xcmsSet) | toolshed.g2.bx.psu.edu/repos/lecorguille/xcms_xcmsset/abims_xcms_xcmsSet/3.12.0+galaxy0 |
4 | xcms plot chromatogram | toolshed.g2.bx.psu.edu/repos/lecorguille/xcms_plot_chromatogram/xcms_plot_chromatogram/3.12.0+galaxy0 |
5 | xcms findChromPeaks Merger | toolshed.g2.bx.psu.edu/repos/lecorguille/xcms_merge/xcms_merge/3.12.0+galaxy0 |
6 | metaMS.runGC | toolshed.g2.bx.psu.edu/repos/yguitton/metams_rungc/metams_runGC/3.0.0+metaMS1.24.0-galaxy0 |
7 | Check Format | toolshed.g2.bx.psu.edu/repos/ethevenot/checkformat/checkFormat/3.0.0 |
8 | Multivariate | toolshed.g2.bx.psu.edu/repos/ethevenot/multivariate/Multivariate/2.3.10 |
Outputs
ID | Name | Description | Type |
---|---|---|---|
_anonymous_output_1 | _anonymous_output_1 | n/a |
|
_anonymous_output_2 | _anonymous_output_2 | n/a |
|
metaMS.runGC dataMatrix | metaMS.runGC dataMatrix | n/a |
|
_anonymous_output_3 | _anonymous_output_3 | n/a |
|
Multivariate variableMetadata | Multivariate variableMetadata | n/a |
|
Multivariate sampleMetadata | Multivariate sampleMetadata | n/a |
|
Version History
v0.1 (earliest) Created 25th Nov 2023 at 03:01 by WorkflowHub Bot
Updated to v0.1
Frozen
v0.1
e5af94a
Creators and Submitter
Creators
Not specifiedAdditional credit
workflow4metabolomics
Submitter
License
Activity
Views: 2572 Downloads: 184 Runs: 0
Created: 25th Nov 2023 at 03:01
Attributions
None