Workflow Type: Galaxy
Frozen
This workflow is composed with the XCMS tool R package (Smith, C.A. 2006) able to extract, filter, align and fill gapand the possibility to annotate isotopes, adducts and fragments using the CAMERA R package (Kuhl, C 2012).
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 plot chromatogram | toolshed.g2.bx.psu.edu/repos/lecorguille/xcms_plot_chromatogram/xcms_plot_chromatogram/3.12.0+galaxy0 |
4 | xcms findChromPeaks (xcmsSet) | toolshed.g2.bx.psu.edu/repos/lecorguille/xcms_xcmsset/abims_xcms_xcmsSet/3.12.0+galaxy0 |
5 | xcms findChromPeaks Merger | toolshed.g2.bx.psu.edu/repos/lecorguille/xcms_merge/xcms_merge/3.12.0+galaxy0 |
6 | xcms groupChromPeaks (group) | toolshed.g2.bx.psu.edu/repos/lecorguille/xcms_group/abims_xcms_group/3.12.0+galaxy0 |
7 | xcms adjustRtime (retcor) | toolshed.g2.bx.psu.edu/repos/lecorguille/xcms_retcor/abims_xcms_retcor/3.12.0+galaxy0 |
8 | Intensity Check | toolshed.g2.bx.psu.edu/repos/melpetera/intensity_checks/intens_check/1.2.8 |
9 | xcms plot chromatogram | toolshed.g2.bx.psu.edu/repos/lecorguille/xcms_plot_chromatogram/xcms_plot_chromatogram/3.12.0+galaxy0 |
10 | xcms groupChromPeaks (group) | toolshed.g2.bx.psu.edu/repos/lecorguille/xcms_group/abims_xcms_group/3.12.0+galaxy0 |
11 | xcms fillChromPeaks (fillPeaks) | toolshed.g2.bx.psu.edu/repos/lecorguille/xcms_fillpeaks/abims_xcms_fillPeaks/3.12.0+galaxy0 |
12 | CAMERA.annotate | toolshed.g2.bx.psu.edu/repos/lecorguille/camera_annotate/abims_CAMERA_annotateDiffreport/2.2.6+camera1.48.0-galaxy1 |
Outputs
ID | Name | Description | Type |
---|---|---|---|
_anonymous_output_1 | _anonymous_output_1 | n/a |
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_anonymous_output_2 | _anonymous_output_2 | n/a |
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_anonymous_output_3 | _anonymous_output_3 | n/a |
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_anonymous_output_4 | _anonymous_output_4 | n/a |
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_anonymous_output_5 | _anonymous_output_5 | n/a |
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_anonymous_output_6 | _anonymous_output_6 | n/a |
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_anonymous_output_7 | _anonymous_output_7 | n/a |
|
_anonymous_output_8 | _anonymous_output_8 | n/a |
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xcms fillChromPeaks dataMatrix | xcms fillChromPeaks dataMatrix | n/a |
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_anonymous_output_9 | _anonymous_output_9 | n/a |
|
CAMERA.annotate variableMetadata | CAMERA.annotate variableMetadata | n/a |
|
_anonymous_output_10 | _anonymous_output_10 | n/a |
|
Version History
v1.0 (earliest) Created 24th Nov 2023 at 03:01 by WorkflowHub Bot
Updated to v1.0
Frozen
v1.0
655f20e
Creators and Submitter
Creators
Not specifiedAdditional credit
workflow4metabolomics
Submitter
License
Activity
Views: 3153 Downloads: 252 Runs: 0
Created: 24th Nov 2023 at 03:01
Attributions
None