Skip to content

Release of GTN for gcms with metaMS#3

Merged
yguitton merged 40 commits into
mainfrom
metabo-gcms-metams
Aug 1, 2025
Merged

Release of GTN for gcms with metaMS#3
yguitton merged 40 commits into
mainfrom
metabo-gcms-metams

Conversation

@yguitton
Copy link
Copy Markdown
Member

GC-MS GTN ready for release

> {: .text-justify}
> {% snippet faqs/galaxy/datasets_rename.md %}
>
> > Not all **metaMS** R package functions have been made available in Galaxy.
Copy link
Copy Markdown

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

reported by reviewdog 🐶
Potential broken box. A None was opened on 260, but not closed on line 261

> {: .comment}
>
> > <tip-title>Export MSP file to external databases </tip-title>
> > >You can {% icon dataset-save %} download the MSP file and open it in your favorite spectra processing software or online database for further investigation!
Copy link
Copy Markdown

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

reported by reviewdog 🐶
A None was opened, but closed with tip on line 301

> > <tip-title>Export MSP file to external databases </tip-title>
> > >You can {% icon dataset-save %} download the MSP file and open it in your favorite spectra processing software or online database for further investigation!
> {: .tip}
>
Copy link
Copy Markdown

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

reported by reviewdog 🐶
A None was opened, but closed with hands_on on line 303

> - **RIshift** : if you want to use RI as filter, please precise here the RI shift. For our tutorial `keep the previous parameter to FALSE`.
># Verify your data after the pre-processing and clean datasets
>
>When you have processed **all or only needed** steps described before, you can continue the processing of your data with statistics or annotation tools.
Copy link
Copy Markdown

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

reported by reviewdog 🐶
Potential broken box. A None was opened on 443, but not closed on line 446

>
> > <comment-title>Important : Be careful of the file format</comment-title>
> > During each step of pre-processing, your dataset has its format changed and can have also its name changed. To be able to continue to GC-MS processing, you need to have a RData object which is **merged and grouped** (from **xcms findChromPeaks Merger** {% icon tool %} and **xcms groupChromPeaks (group)** {% icon tool %}) at least. It means that you should have a file named `xset.merged.groupChromPeaks.RData` (and maybe with some step more in it).
> {: .comment}
Copy link
Copy Markdown

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

reported by reviewdog 🐶
Potential broken box. A None was opened on 447, but not closed on line 471

@yguitton yguitton merged commit 7b19ed3 into main Aug 1, 2025
0 of 3 checks passed
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Projects

None yet

Development

Successfully merging this pull request may close these issues.

1 participant