nfdi4cat · khatamirad · Jul 10, 2026 · Jul 10, 2026 · Jul 10, 2026 · Jul 10, 2026
diff --git a/docs/about.md b/docs/about.md
@@ -2,32 +2,45 @@
 
 Robust data-sharing guidelines are essential in catalysis research to ensure high-quality metadata, reproducibility, and the sustained progress of digital catalysis. CoreMeta4Cat — an initiative under [NFDI4Cat](https://nfdi4cat.org) — specifies the minimum information that must be reported alongside catalysis research data, going beyond conventional field-independent metadata. The guideline helps researchers handle and standardise data across this versatile research field in accordance with the [FAIR principles](https://www.go-fair.org/fair-principles/) (Findable, Accessible, Interoperable, Reusable). Integration of CoreMeta4Cat into data repositories ensures the availability of high-quality metadata and facilitates efficient access to and querying of published datasets.
 
+---
+
 ## Terminology and Vocabulary
 
 The terminology employed in CoreMeta4Cat is based on [Voc4Cat](https://nfdi4cat.github.io/voc4cat/), a controlled vocabulary developed under NFDI4Cat that supports standardised semantic representation and advances ontology development in catalysis. Terms not yet covered by Voc4Cat are provisionally defined within the model and incorporated as the vocabulary is updated. CoreMeta4Cat is built on top of [DCAT-AP+](https://nfdi-de.github.io/dcat-ap-plus/) and its chemistry extension [ChemDCAT-AP](https://nfdi-de.github.io/chem-dcat-ap/), enabling interoperability with broader research data infrastructures.
 
+---
 
 ## Citation
 
 If you use CoreMeta4Cat in your research, please cite:
 
-> *CoreMeta4Cat: Minimum Information Guidelines for Catalysis Research Data.* NFDI4Cat. [https://nfdi4cat.github.io/CoreMeta4Cat/](https://nfdi4cat.github.io/CoreMeta4Cat/)
+> *CoreMeta4Cat: Minimum Information Guidelines for Catalysis Research Data.* NFDI4Cat. <https://nfdi4cat.github.io/CoreMeta4Cat/>
+
+A journal publication is in preparation.
+
+[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.20564227.svg)](https://doi.org/10.5281/zenodo.20564227)
 
-A journal publication is still pending.
+---
 
 ## Acknowledgements
 
 CoreMeta4Cat builds on the provenance and metadata infrastructure established by [DCAT-AP+](https://nfdi-de.github.io/dcat-ap-plus/) and [ChemDCAT-AP](https://nfdi-de.github.io/chem-dcat-ap/). These schemas provide the foundational data model — including the activity, entity, and attribute patterns — on which the CatCore application profile is defined. We gratefully acknowledge the work of the DCAT-AP+ and ChemDCAT-AP development teams.
 
+---
+
 ## Funding
 
 CoreMeta4Cat is funded by the German Research Foundation (DFG) and the German Federal Ministry of Education and Research (BMBF) as part of the National Research Data Infrastructure (NFDI):
 
 | Project | Funder | Grant | Link |
 |---|---|---|---|
 | **NFDI4Cat** — NFDI for Catalysis-Related Sciences | DFG | [441926934](https://gepris.dfg.de/gepris/projekt/441926934) | [nfdi4cat.org](https://nfdi4cat.org/) |
-| **CarboDiol** — Carbohydrates to α-ω-Diols 2.0| BMBF | [03XP0612B](https://materialneutral.info/project/carbo-diol2-0/) | — |
+| **CarboDiol** — Carbohydrates to α-ω-Diols 2.0 | BMBF | [03XP0612B](https://materialneutral.info/project/carbo-diol2-0/) | — |
+
+---
 
 ## Contact and Contributions
 
 CoreMeta4Cat is developed openly on [GitHub](https://github.com/nfdi4cat/CoreMeta4Cat). Contributions, issue reports, and suggestions are welcome via the repository's issue tracker.
+
+For questions about the standard or its adoption, open an issue on GitHub or reach out via the [NFDI4Cat community channels](https://nfdi4cat.org/en/contact/).
diff --git a/docs/contributing.md b/docs/contributing.md
@@ -29,12 +29,20 @@ Not sure whether a field exists, or how to annotate something? Use the [GitHub D
 
 ## Understanding the vocabulary workbook
 
-Download the [vocabulary reference workbook](assets/coremeta4cat_vocabulary.xlsx) for a structured overview of all fields, organised by data class and colour-coded by importance (Mandatory / Recommended / Optional). The workbook opens with an **Introduction** sheet and a **Legend** sheet explaining the colour coding and column meanings.
+Download the [vocabulary reference workbook](https://nfdi4cat.github.io/CoreMeta4Cat/latest/assets/coremeta4cat_vocabulary.xlsx) for a structured overview of all fields, organised by data class and colour-coded by importance (Mandatory / Recommended / Optional). The workbook opens with an **Introduction** sheet and a **Legend** sheet explaining the colour coding and column meanings.
 
 The schema is the authoritative source — the workbook is generated from it automatically.
 
 ---
 
 ## Contribute code or schema changes
 
-If you want to contribute a schema change yourself (add a class, slot, or enumeration), please first open an issue to discuss the change. Then follow the developer guidelines in [CONTRIBUTING.md](https://github.com/nfdi4cat/CoreMeta4Cat/blob/main/CONTRIBUTING.md) on GitHub.
+If you want to contribute a schema change yourself — add a class, slot, or enumeration — please first open an issue to discuss the change. Then follow the developer guidelines in [CONTRIBUTING.md](https://github.com/nfdi4cat/CoreMeta4Cat/blob/main/CONTRIBUTING.md) on GitHub.
+
+For detailed instructions on how to structure a new preparation method, characterisation technique, reactor type, or simulation method, see the [How to Extend](https://nfdi4cat.github.io/CoreMeta4Cat/latest/how-to-extend/) page.
+
+---
+
+## Not sure where to start?
+
+If you are new to CoreMeta4Cat and just want to check whether your dataset covers the right metadata fields, the [Getting Started](https://nfdi4cat.github.io/CoreMeta4Cat/latest/getting-started/) page is the right place to begin — no GitHub account or coding knowledge needed.
diff --git a/docs/coremeta4cat-users.md b/docs/coremeta4cat-users.md
@@ -1,51 +1,77 @@
----
-title: CoreMeta4Cat Users
-description: Projects, repositories, and communities that adopt CoreMeta4Cat
+# Intended Users
+
+CoreMeta4Cat is designed for anyone who produces, manages, or builds tools around catalysis research data. This page describes who the standard is for, how different groups use it, and which projects and repositories have adopted it.
+
+![CoreMeta4Cat logo](images/CoreMeta4Cat_Picture.png)
+
 ---
 
-# CoreMeta4Cat Users
+## Who is CoreMeta4Cat for?
 
-This page lists projects, data repositories, and communities that have adopted CoreMeta4Cat as their metadata standard. It is also the right place to understand how CoreMeta4Cat fits into the broader NFDI4Cat research data infrastructure.
+### Experimental researchers
 
-<div style="text-align: center;">
-    <a>
-    <img src="../images/CoreMeta4Cat_Picture.png" alt="CoreMeta4Cat logo" style="width: 40%;">
-    </a>
-</div>
+If you run catalytic experiments — synthesis, characterisation, reaction testing — CoreMeta4Cat tells you exactly what metadata to record alongside your data so that it can be understood and reused by others, including your future self. You do not need to know anything about schemas, ontologies, or FAIR principles to use it. Start with the [vocabulary reference workbook](https://nfdi4cat.github.io/CoreMeta4Cat/latest/assets/coremeta4cat_vocabulary.xlsx) and the [Getting Started](https://nfdi4cat.github.io/CoreMeta4Cat/latest/getting-started/) guide.
 
----
+**CoreMeta4Cat helps you:**
+- Know which metadata fields are mandatory, recommended, or optional for your specific experiment type
+- Use consistent field names and units that other researchers — and data repositories — will recognise
+- Prepare your dataset for publication, repository deposit, or FAIR compliance without extra rework
 
-## NFDI4Cat
+### Computational researchers
 
-<div style="text-align: center;">
-    <a>
-    <img src="../images/nfdi4cat-logo.png" alt="nfdi4cat-logo" style="width: 40%;">
-    </a>
-</div>
+If you run DFT calculations, molecular dynamics simulations, or microkinetic models, CoreMeta4Cat defines the minimum metadata for your computational outputs — software, method, settings, and calculated properties. The same vocabulary links your simulation data to experimental datasets, enabling direct comparison and validation.
 
-CoreMeta4Cat is developed within the [NFDI4Cat](https://nfdi4cat.org) initiative — the National Research Data Infrastructure consortium for catalysis sciences in Germany. NFDI4Cat brings together universities, research institutions, and industrial partners to build shared data infrastructure for the catalysis community.
+### Data stewards and repository managers
+
+If you manage a research data repository or institutional data infrastructure, CoreMeta4Cat provides a validated, community-agreed schema for catalysis data intake. The LinkML source generates SHACL shapes, JSON Schema, and Python/Pydantic classes automatically, making integration into existing repository workflows straightforward.
+
+**CoreMeta4Cat gives you:**
+- A structured, versioned metadata schema with clear obligation levels (Mandatory / Recommended / Optional)
+- Automatic generation of validation artefacts (SHACL, JSON Schema) from a single source
+- A direct connection to the Voc4Cat controlled vocabulary and DCAT-AP-PLUS provenance layer
+
+### Tool and ELN developers
 
-CoreMeta4Cat is the community-driven metadata model proposed within this framework, designed to enable semantically enriched, interoperable catalysis data across experimental, computational, and digitally curated research workflows.
+If you develop electronic lab notebooks, data management platforms, or analysis tools used in catalysis labs, CoreMeta4Cat provides a community-agreed data model to map your internal schema against. Aligning your tool's output to CoreMeta4Cat makes your users' data immediately compatible with repositories and other tools in the NFDI4Cat ecosystem.
+
+### PhD students and early-career researchers
+
+If you are new to research data management, CoreMeta4Cat is a practical starting point. Rather than confronting abstract FAIR principles, it gives you a concrete, catalysis-specific list of what to document for your experiment type. The [Getting Started](https://nfdi4cat.github.io/CoreMeta4Cat/latest/getting-started/) page is written for exactly this audience — no prior knowledge of metadata standards required.
 
 ---
 
-## Are you using CoreMeta4Cat?
+## How different groups use CoreMeta4Cat
 
-If your project, repository, or tool uses CoreMeta4Cat, we would love to list it here. Please open an issue or pull request on the [CoreMeta4Cat GitHub repository](https://github.com/HendrikBorgelt/CoreMeta4Cat) with the following information:
+| User type | Primary use | Entry point |
+|---|---|---|
+| Experimental researcher | Record and annotate dataset metadata | [Vocabulary workbook](https://nfdi4cat.github.io/CoreMeta4Cat/latest/assets/coremeta4cat_vocabulary.xlsx) · [Getting Started](https://nfdi4cat.github.io/CoreMeta4Cat/latest/getting-started/) |
+| Computational researcher | Document simulation inputs, settings, and outputs | [Simulation data class](https://nfdi4cat.github.io/CoreMeta4Cat/latest/simulation/) |
+| Data steward / repository | Implement as metadata intake schema | [Schema Reference](https://nfdi4cat.github.io/CoreMeta4Cat/latest/elements/overview/) · [Design Patterns](https://nfdi4cat.github.io/CoreMeta4Cat/latest/design-patterns/) |
+| Tool / ELN developer | Map internal schema to CoreMeta4Cat | [How to Extend](https://nfdi4cat.github.io/CoreMeta4Cat/latest/how-to-extend/) · [GitHub](https://github.com/nfdi4cat/CoreMeta4Cat) |
+| PhD student | Learn what metadata to document | [Getting Started — Level 1 and 2](https://nfdi4cat.github.io/CoreMeta4Cat/latest/getting-started/) |
 
-| Field | What to provide |
-|---|---|
-| **Project name** | The name of the project, repository, or tool |
-| **Organisation** | The institution or consortium responsible |
-| **Description** | One or two sentences on how CoreMeta4Cat is used |
-| **Link** | A URL to the project, dataset collection, or publication |
-| **Contact** | An optional name or email for follow-up |
+---
+
+## Projects and repositories using CoreMeta4Cat
+
+CoreMeta4Cat is developed within the [NFDI4Cat](https://nfdi4cat.org) initiative — the National Research Data Infrastructure consortium for catalysis sciences in Germany. NFDI4Cat brings together universities, research institutions, and industrial partners to build shared data infrastructure for the catalysis community.
+
+!!! info "Is your project listed here?"
+    If your project, repository, or tool uses CoreMeta4Cat, please open an issue or pull request on the [CoreMeta4Cat GitHub repository](https://github.com/nfdi4cat/CoreMeta4Cat) with the following information:
+
+    | Field | What to provide |
+    |---|---|
+    | **Project name** | The name of the project, repository, or tool |
+    | **Organisation** | The institution or consortium responsible |
+    | **Description** | One or two sentences on how CoreMeta4Cat is used |
+    | **Link** | A URL to the project, dataset collection, or publication |
+    | **Contact** | An optional name or email for follow-up |
 
 ---
 
 ## Scope of adoption
 
-CoreMeta4Cat is designed to be adopted at different levels, depending on the use case:
+CoreMeta4Cat can be adopted at different levels depending on your use case — from simply using the vocabulary reference as a documentation guide, all the way to full semantic integration.
 
 **Metadata collection and submission**
 Research groups can use CoreMeta4Cat to structure the metadata they report alongside published datasets, whether in institutional repositories, domain repositories, or supplementary materials of publications.
@@ -68,4 +94,4 @@ Because CoreMeta4Cat maps every class and slot to established ontology terms (Vo
 | [Voc4Cat](https://nfdi4cat.github.io/voc4cat/) | The NFDI4Cat controlled vocabulary, used for `rdf_type` classification terms throughout CoreMeta4Cat |
 | [DCAT-AP-PLUS](https://nfdi-de.github.io/dcat-ap-plus/dev/) | The base provenance layer that CoreMeta4Cat extends |
 | [LinkML](https://linkml.io/) | The schema language and tooling used to define and validate CoreMeta4Cat |
-| [CoreMeta4Cat on GitHub](https://github.com/HendrikBorgelt/CoreMeta4Cat) | Schema source files, issue tracker, and contribution guide |
+| [CoreMeta4Cat on GitHub](https://github.com/nfdi4cat/CoreMeta4Cat) | Schema source files, issue tracker, and contribution guide |