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fix: sync RO-Crate metadata with README description
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ro-crate-metadata.json

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"@type": "Dataset",
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"creativeWorkStatus": "InProgress",
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"datePublished": "2025-10-16T13:38:29+00:00",
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"description": "<h1>\n <picture>\n <source media=\"(prefers-color-scheme: dark)\" srcset=\"docs/images/nf-core-ribomsqc_logo_dark.png\">\n <img alt=\"nf-core/ribomsqc\" src=\"docs/images/nf-core-ribomsqc_logo_light.png\">\n </picture>\n</h1>\n\n[![Open in GitHub Codespaces](https://github.com/codespaces/badge.svg)](https://github.com/codespaces/new/nf-core/ribomsqc)\n[![GitHub Actions CI Status](https://github.com/nf-core/ribomsqc/actions/workflows/nf-test.yml/badge.svg)](https://github.com/nf-core/ribomsqc/actions/workflows/nf-test.yml)\n[![GitHub Actions Linting Status](https://github.com/nf-core/ribomsqc/actions/workflows/linting.yml/badge.svg)](https://github.com/nf-core/ribomsqc/actions/workflows/linting.yml)[![AWS CI](https://img.shields.io/badge/CI%20tests-full%20size-FF9900?labelColor=000000&logo=Amazon%20AWS)](https://nf-co.re/ribomsqc/results)[![Cite with Zenodo](http://img.shields.io/badge/DOI-10.5281/zenodo.XXXXXXX-1073c8?labelColor=000000)](https://doi.org/10.5281/zenodo.XXXXXXX)\n[![nf-test](https://img.shields.io/badge/unit_tests-nf--test-337ab7.svg)](https://www.nf-test.com)\n\n[![Nextflow](https://img.shields.io/badge/version-%E2%89%A525.04.0-green?style=flat&logo=nextflow&logoColor=white&color=%230DC09D&link=https%3A%2F%2Fnextflow.io)](https://www.nextflow.io/)\n[![nf-core template version](https://img.shields.io/badge/nf--core_template-3.4.1-green?style=flat&logo=nfcore&logoColor=white&color=%2324B064&link=https%3A%2F%2Fnf-co.re)](https://github.com/nf-core/tools/releases/tag/3.4.1)\n[![run with conda](http://img.shields.io/badge/run%20with-conda-3EB049?labelColor=000000&logo=anaconda)](https://docs.conda.io/en/latest/)\n[![run with docker](https://img.shields.io/badge/run%20with-docker-0db7ed?labelColor=000000&logo=docker)](https://www.docker.com/)\n[![run with singularity](https://img.shields.io/badge/run%20with-singularity-1d355c.svg?labelColor=000000)](https://sylabs.io/docs/)\n[![Launch on Seqera Platform](https://img.shields.io/badge/Launch%20%F0%9F%9A%80-Seqera%20Platform-%234256e7)](https://cloud.seqera.io/launch?pipeline=https://github.com/nf-core/ribomsqc)\n\n[![Get help on Slack](http://img.shields.io/badge/slack-nf--core%20%23ribomsqc-4A154B?labelColor=000000&logo=slack)](https://nfcore.slack.com/channels/ribomsqc)[![Follow on Bluesky](https://img.shields.io/badge/bluesky-%40nf__core-1185fe?labelColor=000000&logo=bluesky)](https://bsky.app/profile/nf-co.re)[![Follow on Mastodon](https://img.shields.io/badge/mastodon-nf__core-6364ff?labelColor=FFFFFF&logo=mastodon)](https://mstdn.science/@nf_core)[![Watch on YouTube](http://img.shields.io/badge/youtube-nf--core-FF0000?labelColor=000000&logo=youtube)](https://www.youtube.com/c/nf-core)\n\n## Introduction\n\n**nf-core/ribomsqc** is a bioinformatics pipeline that ...\n\n<!-- TODO nf-core:\n Complete this sentence with a 2-3 sentence summary of what types of data the pipeline ingests, a brief overview of the\n major pipeline sections and the types of output it produces. You're giving an overview to someone new\n to nf-core here, in 15-20 seconds. For an example, see https://github.com/nf-core/rnaseq/blob/master/README.md#introduction\n-->\n\n<!-- TODO nf-core: Include a figure that guides the user through the major workflow steps. Many nf-core\n workflows use the \"tube map\" design for that. See https://nf-co.re/docs/guidelines/graphic_design/workflow_diagrams#examples for examples. -->\n<!-- TODO nf-core: Fill in short bullet-pointed list of the default steps in the pipeline -->\n\n## Usage\n\n> [!NOTE]\n> If you are new to Nextflow and nf-core, please refer to [this page](https://nf-co.re/docs/usage/installation) on how to set-up Nextflow. Make sure to [test your setup](https://nf-co.re/docs/usage/introduction#how-to-run-a-pipeline) with `-profile test` before running the workflow on actual data.\n\n<!-- TODO nf-core: Describe the minimum required steps to execute the pipeline, e.g. how to prepare samplesheets.\n Explain what rows and columns represent. For instance (please edit as appropriate):\n\nFirst, prepare a samplesheet with your input data that looks as follows:\n\n`samplesheet.csv`:\n\n```csv\nsample,fastq_1,fastq_2\nCONTROL_REP1,AEG588A1_S1_L002_R1_001.fastq.gz,AEG588A1_S1_L002_R2_001.fastq.gz\n```\n\nEach row represents a fastq file (single-end) or a pair of fastq files (paired end).\n\n-->\n\nNow, you can run the pipeline using:\n\n<!-- TODO nf-core: update the following command to include all required parameters for a minimal example -->\n\n```bash\nnextflow run nf-core/ribomsqc \\\n -profile <docker/singularity/.../institute> \\\n --input samplesheet.csv \\\n --outdir <OUTDIR>\n```\n\n> [!WARNING]\n> Please provide pipeline parameters via the CLI or Nextflow `-params-file` option. Custom config files including those provided by the `-c` Nextflow option can be used to provide any configuration _**except for parameters**_; see [docs](https://nf-co.re/docs/usage/getting_started/configuration#custom-configuration-files).\n\nFor more details and further functionality, please refer to the [usage documentation](https://nf-co.re/ribomsqc/usage) and the [parameter documentation](https://nf-co.re/ribomsqc/parameters).\n\n## Pipeline output\n\nTo see the results of an example test run with a full size dataset refer to the [results](https://nf-co.re/ribomsqc/results) tab on the nf-core website pipeline page.\nFor more details about the output files and reports, please refer to the\n[output documentation](https://nf-co.re/ribomsqc/output).\n\n## Credits\n\nnf-core/ribomsqc was originally written by Roger Olivella.\n\nWe thank the following people for their extensive assistance in the development of this pipeline:\n\n<!-- TODO nf-core: If applicable, make list of people who have also contributed -->\n\n## Contributions and Support\n\nIf you would like to contribute to this pipeline, please see the [contributing guidelines](.github/CONTRIBUTING.md).\n\nFor further information or help, don't hesitate to get in touch on the [Slack `#ribomsqc` channel](https://nfcore.slack.com/channels/ribomsqc) (you can join with [this invite](https://nf-co.re/join/slack)).\n\n## Citations\n\n<!-- TODO nf-core: Add citation for pipeline after first release. Uncomment lines below and update Zenodo doi and badge at the top of this file. -->\n<!-- If you use nf-core/ribomsqc for your analysis, please cite it using the following doi: [10.5281/zenodo.XXXXXX](https://doi.org/10.5281/zenodo.XXXXXX) -->\n\n<!-- TODO nf-core: Add bibliography of tools and data used in your pipeline -->\n\nAn extensive list of references for the tools used by the pipeline can be found in the [`CITATIONS.md`](CITATIONS.md) file.\n\nYou can cite the `nf-core` publication as follows:\n\n> **The nf-core framework for community-curated bioinformatics pipelines.**\n>\n> Philip Ewels, Alexander Peltzer, Sven Fillinger, Harshil Patel, Johannes Alneberg, Andreas Wilm, Maxime Ulysse Garcia, Paolo Di Tommaso & Sven Nahnsen.\n>\n> _Nat Biotechnol._ 2020 Feb 13. doi: [10.1038/s41587-020-0439-x](https://dx.doi.org/10.1038/s41587-020-0439-x).\n",
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"description": "<h1>\n <picture>\n <source media=\"(prefers-color-scheme: dark)\" srcset=\"docs/images/nf-core-ribomsqc_logo_dark.png\">\n <img alt=\"nf-core/ribomsqc\" src=\"docs/images/nf-core-ribomsqc_logo_light.png\">\n </picture>\n</h1>\n\n[![Open in GitHub Codespaces](https://github.com/codespaces/badge.svg)](https://github.com/codespaces/new/nf-core/ribomsqc)\n[![GitHub Actions CI Status](https://github.com/nf-core/ribomsqc/actions/workflows/nf-test.yml/badge.svg)](https://github.com/nf-core/ribomsqc/actions/workflows/nf-test.yml)\n[![GitHub Actions Linting Status](https://github.com/nf-core/ribomsqc/actions/workflows/linting.yml/badge.svg)](https://github.com/nf-core/ribomsqc/actions/workflows/linting.yml)[![AWS CI](https://img.shields.io/badge/CI%20tests-full%20size-FF9900?labelColor=000000&logo=Amazon%20AWS)](https://nf-co.re/ribomsqc/results)[![Cite with Zenodo](http://img.shields.io/badge/DOI-10.5281/zenodo.XXXXXXX-1073c8?labelColor=000000)](https://doi.org/10.5281/zenodo.XXXXXXX)\n[![nf-test](https://img.shields.io/badge/unit_tests-nf--test-337ab7.svg)](https://www.nf-test.com)\n\n[![Nextflow](https://img.shields.io/badge/version-%E2%89%A525.04.0-green?style=flat&logo=nextflow&logoColor=white&color=%230DC09D&link=https%3A%2F%2Fnextflow.io)](https://www.nextflow.io/)\n[![nf-core template version](https://img.shields.io/badge/nf--core_template-3.4.1-green?style=flat&logo=nfcore&logoColor=white&color=%2324B064&link=https%3A%2F%2Fnf-co.re)](https://github.com/nf-core/tools/releases/tag/3.4.1)\n[![run with conda](http://img.shields.io/badge/run%20with-conda-3EB049?labelColor=000000&logo=anaconda)](https://docs.conda.io/en/latest/)\n[![run with docker](https://img.shields.io/badge/run%20with-docker-0db7ed?labelColor=000000&logo=docker)](https://www.docker.com/)\n[![run with singularity](https://img.shields.io/badge/run%20with-singularity-1d355c.svg?labelColor=000000)](https://sylabs.io/docs/)\n[![Launch on Seqera Platform](https://img.shields.io/badge/Launch%20%F0%9F%9A%80-Seqera%20Platform-%234256e7)](https://cloud.seqera.io/launch?pipeline=https://github.com/nf-core/ribomsqc)\n\n[![Get help on Slack](http://img.shields.io/badge/slack-nf--core%20%23ribomsqc-4A154B?labelColor=000000&logo=slack)](https://nfcore.slack.com/channels/ribomsqc)[![Follow on Bluesky](https://img.shields.io/badge/bluesky-%40nf__core-1185fe?labelColor=000000&logo=bluesky)](https://bsky.app/profile/nf-co.re)[![Follow on Mastodon](https://img.shields.io/badge/mastodon-nf__core-6364ff?labelColor=FFFFFF&logo=mastodon)](https://mstdn.science/@nf_core)[![Watch on YouTube](http://img.shields.io/badge/youtube-nf--core-FF0000?labelColor=000000&logo=youtube)](https://www.youtube.com/c/nf-core)\n\n### Introduction\n\nUse **nf-core/ribomsqc** to:\n\n- Perform automated quality control of ribonucleoside analysis by mass spectrometry.\n- Summarize and visualize QC metrics through integrated **MultiQC** reports.\n\n![ribomsqc workflow](docs/images/ribomsqc_general_workflow.png)\n![ribomsqc workflow](docs/images/ribomsqc_workflow_horizontal.png)\n\n## Usage\n\n> \\[!NOTE]\n> If you are new to Nextflow and nf-core, please refer to [this page](https://nf-co.re/docs/usage/installation) on how to set-up Nextflow.\n\n1. **Prepare a samplesheet** with your input data, for example:\n\n ```csv title=\"samplesheet.csv\"\n id,raw_file\n Day_5,path/to/Day_5.raw\n ```\n\nFor more information, see the [usage docs](https://nf-co.re/ribomsqc/usage) on required `samplesheet.csv` columns.\n\n2. **Prepare an analytes TSV file** (e.g. `qcn1.tsv`) with your compounds and theoretical retention times. The TSV must have **exactly** these columns and format:\n\n```tsv\nshort_name\tlong_name\tmz_M0\tmz_M1\tmz_M2\tms2_mz\trt_teoretical\nC\tCytidine 50 \u03bcg/mL\t244.0928\t\t\t112.0505\t555\nU\tUridine 25 \u03bcg/mL\t245.0768\t\t\t113.0346\t1566\nm3C\t3-Methylcytidine methosulfate 100 \u03bcg/mL\t258.1084\t\t\t126.0662\t508\nm5C\t5-Methylcytidine 100 \u03bcg/mL\t258.1084\t\t\t126.0662\t655\nCm\t2-O-Methylcytidine 20 \u03bcg/mL\t258.1084\t\t\t112.0505\t883\nm5U\t5-Methyluridine 50 \u03bcg/mL\t259.0925\t\t\t127.0502\t1866\nI\tInosine 25 \u03bcg/mL\t269.088\t\t\t137.0458\t1741\nm1A\t1-Methyladenosine 25 \u03bcg/mL\t282.1197\t\t\t150.0774\t523\nG\tGuanosine 25 \u03bcg/mL\t284.0989\t\t\t152.0567\t1726\nm7G\t7-Methylguanosine 25 \u03bcg/mL\t298.1146\t\t\t166.0723\t554\n```\n\n> [!NOTE]\n> Replace **only** the values in the `rt_teoretical` column with **your own** retention times (in seconds) for each compound.\n\n3. **Run the pipeline**:\n\n ```bash\n nextflow run nf-core/ribomsqc \\\n --input samplesheet.csv \\\n --analytes_tsv qcn1.tsv \\\n --analyte all \\\n --rt_tolerance 120 \\\n --mz_tolerance 7 \\\n --ms_level 1 \\\n --outdir results \\\n -profile singularity\n ```\n\n> [!WARNING]\n> Please provide pipeline parameters via the CLI or Nextflow `-params-file` option.\n\nFor more information, see the [usage docs](https://nf-co.re/ribomsqc/usage) and [parameters](https://nf-co.re/ribomsqc/parameters).\n\n## Pipeline output\n\nSee [results page](https://nf-co.re/ribomsqc/results) for example output and [output docs](https://nf-co.re/ribomsqc/output).\n\n## Credits\n\nnf-core/ribomsqc was originally written by Roger Olivella.\n\n## Contributions and Support\n\nFor help, visit [Slack #ribomsqc](https://nfcore.slack.com/channels/ribomsqc) or see [contributing guide](.github/CONTRIBUTING.md).\n\n## Citations\n\nSee [`CITATIONS.md`](CITATIONS.md) for tool references.\n\n> Ewels PA _et al._ (2020) _The nf-core framework_. Nat Biotechnol. [doi:10.1038/s41587-020-0439-x](https://doi.org/10.1038/s41587-020-0439-x)\n",
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