LC-MS untargeted metabolomics dataset annotated with MS1-Tools (PROTECT pediatric IBD cohort)
收藏Zenodo2026-03-10 更新2026-05-26 收录
下载链接：
https://zenodo.org/doi/10.5281/zenodo.18939449
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资源简介：
Untargeted metabolomics dataset from the stool samples of the peadiatric ulceratie colitis cohort (Schirmer et. al (2024), PMID: 38215740) annotated by MS1-Tools.
Follow instructions in the Supplementary Note to pull the docker image or visit https://hub.docker.com/r/ms1tools/.
To see the data, unzip the file in an arbitray location. Inside the working directory, run:
docker run -it -v `pwd`:/data/ -w /data/ -p 8888:8888 ms1tools jupyter notebook
In a browser access the Jupyter Notebook server and run one of the URLs as instructed.
Or copy and paste one of these URLs:
http://451eec4d9c90:8888/tree?token=349280a42a584a3794d6628f09ee6a02d43f0b55f9d41eac
http://127.0.0.1:8888/tree?token=349280a42a584a3794d6628f09ee6a02d43f0b55f9d41eac
and replace the IP address accordingly if running on a remote server. Once in Jupyter notebook, the metabolomics data can be accessed and searched with `search_notebook.ipynb`. For further instructions, see Supplementary Note or the notebook itself.
提供机构：
Zenodo
创建时间：
2026-03-10
