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5fc72ef
refactor: simplify through removing unused elements
jliermann Jan 15, 2026
8b8dd68
feat: add generalized components for features and buttons
jliermann Jan 15, 2026
9e30aff
refactor: front page feature buttons
jliermann Jan 15, 2026
cc235b6
chore: formatting
jliermann Jan 15, 2026
f2da7a5
refactor: replace IntroButton with FeatureButton
jliermann Jan 15, 2026
fd29062
refactor: enhance FeatureButton styling and pass index prop from Feat…
jliermann Jan 15, 2026
0c23c2e
refactor: update FeatureButton styles and remove unused secondary but…
jliermann Jan 15, 2026
38b3275
refactor: replace N4CFeatures with Features component and add domains…
jliermann Jan 15, 2026
4565425
refactor: replace N4CFeatures with Features component and add roles data
jliermann Jan 15, 2026
020bd41
refactor: replace N4CFeatures with Features component and add stakeho…
jliermann Jan 15, 2026
07cf1aa
refactor: replace IntroButton with FeatureButton in data guide, smart…
jliermann Jan 15, 2026
78e4842
refactor: remove IntroButton and N4CFeatures components
jliermann Jan 15, 2026
3985ce3
chore: formatting
jliermann Jan 15, 2026
699e42d
feat: add resource buttons to dmp article
jliermann Jan 15, 2026
5320f84
fix: add alt attribute to image in FeatureButton component for access…
jliermann Jan 15, 2026
333ce37
feat: add script to count articles and generate a table of contents
jliermann Jan 15, 2026
18bf755
fix: update article counting script to handle both MD and MDX files a…
jliermann Jan 15, 2026
8962968
fix: remove linebreaks from title, slug, relative path, and word coun…
jliermann Jan 15, 2026
e06242d
feat: generalize props drilling to button component
jliermann Jan 16, 2026
6755d98
fix: update FeatureButton component to use maxWidth style for images
jliermann Jan 16, 2026
a94812c
fix: adjust text alignment and white-space handling for feature butto…
jliermann Jan 16, 2026
f32af11
chore: update DMP support section with links to downloadable template…
jliermann Jan 16, 2026
a8097c0
chore: formatting
jliermann Jan 16, 2026
4ff0690
feat: add new publication entry with detailed description and links i…
jliermann Jan 16, 2026
8780187
feat: add multiple new publication entries with detailed descriptions…
jliermann Jan 16, 2026
1fafd67
feat: remove outdated publication entries and retain relevant data in…
jliermann Jan 16, 2026
aedb72e
feat: add multiple new publication entries with detailed descriptions…
jliermann Jan 16, 2026
8deda6c
feat: add new publication entry on Raman and ATR-FTIR spectra of weat…
jliermann Jan 16, 2026
283e8d7
fix: replace corrupted SVG
jliermann Jan 16, 2026
35b0787
feat: replace <img> with <FloatImage> component for improved image ha…
jliermann Jan 16, 2026
7f37922
fix: remove unused import of useBaseUrl in introduction and data life…
jliermann Jan 16, 2026
3709e4a
feat: replace <img> with <FloatImage> component for better image hand…
jliermann Jan 16, 2026
8089a2b
feat: replace <img> with <FloatImage> component for improved image ha…
jliermann Jan 16, 2026
b55c43c
fix: alt text
jliermann Jan 16, 2026
35f93b0
feat: replace <img> tags with <FloatImage> component for improved ima…
jliermann Jan 16, 2026
4c01c4b
feat: replace <img> tag with Markdown syntax for improved image handl…
jliermann Jan 16, 2026
87d72a8
feat: replace <img> tags with Markdown syntax for improved image hand…
jliermann Jan 16, 2026
b6d3ced
fix: update padding to margin in features styles for better layout
jliermann Jan 16, 2026
13b45f7
feat: replace <img> tags with <FloatImage> component for improved ima…
jliermann Jan 16, 2026
f8f1f12
refactor: BulletBox Container class for more robust styling
jliermann Jan 16, 2026
a1e5bc5
feat: replace <img> tag with <FloatImage> component for improved imag…
jliermann Jan 16, 2026
69a93cc
refactor: move LbeChip component for common use
jliermann Jan 16, 2026
e140643
feat: update advanced documentation to include FloatImage component u…
jliermann Jan 16, 2026
d42b3b4
fix: add Translate component for localized text in DMP buttons
jliermann Jan 16, 2026
3293991
fix: update image attribution license to CC BY-NC-ND 4.0
jliermann Jan 16, 2026
e17ffb8
Merge pull request #493 from jliermann/main
jliermann Jan 16, 2026
bead4fc
fix: correct table header formatting in articleCount script
jliermann Jan 16, 2026
3ddf9ca
fix: add ignore for js files in /docs
jliermann Jan 16, 2026
917965a
Revert "fix: add Translate component for localized text in DMP buttons"
jliermann Jan 16, 2026
01c68ec
Merge pull request #494 from jliermann/main
jliermann Jan 16, 2026
2ce2286
Revert "fix: add ignore for js files in /docs"
jliermann Jan 16, 2026
35f398a
fix: move to assets to prevent localisation issues
jliermann Jan 16, 2026
fdf3f72
fix: move to src/data to prevent localisation issues
jliermann Jan 16, 2026
ef9e044
fix: update import paths
jliermann Jan 16, 2026
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4 changes: 3 additions & 1 deletion .gitignore
Original file line number Diff line number Diff line change
Expand Up @@ -26,4 +26,6 @@ yarn.lock
docusaurus.config.js
.Rproj.user
knowledge_base.Rproj
.vscode
.vscode

article_count.md
13 changes: 7 additions & 6 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -4,14 +4,15 @@

This repo is the core of the [NFDI4Chem knowledge base](https://knowledgebase.nfdi4chem.de).

## Documentation
[![Crowdin](https://badges.crowdin.net/nfdi4chem-knowledge-base/localized.svg)](https://crowdin.com/project/nfdi4chem-knowledge-base) [![Localisation Workflow](https://github.com/NFDI4Chem/knowledge_base/actions/workflows/localisation.yml/badge.svg)](https://github.com/NFDI4Chem/knowledge_base/actions/workflows/localisation.yml)

- [Getting started](./readme/getting_started.md)
- [Localisation](./readme/localisation.md)
- [Advanced stuff](./readme/advanced.md)
- [Local testing](./readme/testing.md)
## Documentation

[![Crowdin](https://badges.crowdin.net/nfdi4chem-knowledge-base/localized.svg)](https://crowdin.com/project/nfdi4chem-knowledge-base) [![Localisation Workflow](https://github.com/NFDI4Chem/knowledge_base/actions/workflows/localisation.yml/badge.svg)](https://github.com/NFDI4Chem/knowledge_base/actions/workflows/localisation.yml)
* [Getting started](./readme/getting_started.md)
* [Localisation](./readme/localisation.md)
* [Advanced stuff](./readme/advanced.md)
* [Custom components](./readme/custom.md)
* [Local testing](./readme/testing.md)

## Acknowledgments

Expand Down
46 changes: 35 additions & 11 deletions docs/00_intro/00_intro.mdx
Original file line number Diff line number Diff line change
Expand Up @@ -4,10 +4,14 @@ slug: "/intro"
id: "intro"
---

import useBaseUrl from '@docusaurus/useBaseUrl';
import IntroButton from '@site/src/components/IntroButton.js';
import FeatureButton from "@site/src/components/features/FeatureButton.js";
import FloatImage from "@site/src/components/commons/FloatImage.js";

<img alt="Data LifeCycle" src={useBaseUrl('/img/Intro/DataLifeCycle_KB.svg')} width="500" align="right" vspace="10" hspace="10"/>
<FloatImage
alt="Data LifeCycle"
url="/img/Intro/DataLifeCycle_KB.svg"
width="max(500px, 50%)"
/>

The NFDI4Chem knowledge base provides information and recommendations to digitalise all key steps of chemical research to support scientists in their efforts to collect, store, process, analyse, publish, and reuse research data. This knowledge base is inspired by [RDMkit](https://rdmkit.elixir-europe.org/index.html) but has been tailored specifically towards Chemists as end-users.

Expand All @@ -16,13 +20,13 @@ Actions to [promote Open Science and Research Data Management](https://riojourna
## Why is RDM important for chemistry?

:::danger Notice:
Research Data Management in chemistry is currently not systematically organised and individual solutions of single institutions lead to low visibility, accessibility, and usability of research results. The added value of preserving and researching scientific data in chemistry is particularly high because the significance of the data is often immortal, hence, older data can be reused for current investigations. In most cases, it is even mandatory to be able to access older data, since experimental data or complex simulation data in particular can only be regenerated with great effort.
Research Data Management in chemistry is currently not systematically organised and individual solutions of single institutions lead to low visibility, accessibility, and usability of research results. The added value of preserving and researching scientific data in chemistry is particularly high because the significance of the data is often immortal, hence, older data can be reused for current investigations. In most cases, it is even mandatory to be able to access older data, since experimental data or complex simulation data in particular can only be regenerated with great effort.
:::

Main motivations for RDM in chemistry are:

- to prevent the loss of data and ensure data security
- to warrant long-term availability of research data
- to warrant long-term availability of research data
- to accelerate retrieval of data and information
- to enhance transparency, reproducibility allow verifiability of research findings
- to boost sustainability by saving time and resources
Expand All @@ -40,28 +44,48 @@ The knowledge base offers different points of entry that help you in navigating

The domain pages present an exemplary workflow for different chemistry disciplines along the research data life cycle. Multiple domains are illustrated in a user profile. Guidelines are provided for all digitisation steps involved and domain-specific best practices for FAIR data are given. Find out how to apply good RDM and FAIR science in the context of your own specific discipline!

<IntroButton url={"/docs/domain_guide"} imgUrl={"/img/nfdi4chem_Domains.svg"} text={"Domains"} />
<FeatureButton
url={"/docs/domain_guide"}
imgUrl={"/img/nfdi4chem_Domains.svg"}
text={"Domains"}
/>

### Role-specific information

The role pages focus on the motivation for role-specific requirements and answer the questions why RDM is important and how it can be implemented. Get a fast impression of all important RDM information related to your role!

<IntroButton url={"/docs/role_guide/"} imgUrl={"/img/nfdi4chem_Roles.svg"} text={"Roles"} />
<FeatureButton
url={"/docs/role_guide/"}
imgUrl={"/img/nfdi4chem_Roles.svg"}
text={"Roles"}
/>

### Handling data

The handling data section explains common problems and challenges regarding RDM. Problematic aspects of data handling are considered, starting with the creation of data management plans, data organisation and data documentation. Moreover, aspects on data storage and archiving are also covered.

<IntroButton url={"/docs/data_guide/"} imgUrl={"/img/nfdi4chem_Handling_Data.svg"} text={"Handling Data"} />
<FeatureButton
url={"/docs/data_guide/"}
imgUrl={"/img/nfdi4chem_Handling_Data.svg"}
text={"Handling Data"}
/>

### Smartlab

To enable fully digital workflows in chemistry, the development and provision of a modular virtual laboratory environment with concepts, services and software (smartlab) is essential. Electronic lab notebooks are an important part of the smartlab, as well as integration of analytical instrumentation and data transfer to repositories.

<IntroButton url={"/docs/smartlab"} imgUrl={"/img/nfdi4chem_SmartLab.svg"} text={"Smartlab"} />
<FeatureButton
url={"/docs/smartlab"}
imgUrl={"/img/nfdi4chem_SmartLab.svg"}
text={"Smartlab"}
/>

### Data Publishing

In this category on data publishing you will find all the important information on the topic of data publishing. This includes the motivation to publish research data, paths to publish data, recommendations for research data repositories to be used, best practices and aspects of machine actionability.
In this category on data publishing you will find all the important information on the topic of data publishing. This includes the motivation to publish research data, paths to publish data, recommendations for research data repositories to be used, best practices and aspects of machine actionability.

<IntroButton url={"/docs/data_publishing"} imgUrl={"/img/nfdi4chem_Data_Publication.svg"} text={"Data Publishing"} />
<FeatureButton
url={"/docs/data_publishing"}
imgUrl={"/img/nfdi4chem_Data_Publication.svg"}
text={"Data Publishing"}
/>
21 changes: 12 additions & 9 deletions docs/00_intro/20_data_life_cycle.mdx
Original file line number Diff line number Diff line change
Expand Up @@ -3,13 +3,17 @@ title: "Data Life Cycle"
slug: "/data_life_cycle"
---

import useBaseUrl from '@docusaurus/useBaseUrl';
import FloatImage from "@site/src/components/commons/FloatImage.js";

# Research Data Life Cycle

## Introduction

<img alt="Data LifeCycle" src={useBaseUrl('/img/Intro/DataLifeCycle_KB.svg')} width="500" align="right" vspace="50" hspace="10"/>
<FloatImage
alt="Data LifeCycle"
url="/img/Intro/DataLifeCycle_KB.svg"
width="max(500px, 50%)"
/>

In scientific work, the assurance of [good research practice](https://doi.org/10.5281/zenodo.3923602) is the highest imperative.

Expand All @@ -33,17 +37,16 @@ Moreover, **quality assurance** is important at this phase. Check, validate and

## Phase 4: Analysis

In the 4th phase, as the name suggests, the focus is on the **analysis and interpretation of the data**. After analysing the data, the data should be evaluated. You should also consider **sharing the data** with colleagues in a closed and secure environment like on a project or working group level. Secure environments for sharing data are often provided by universities or federal states through Sync&share solutions. Consult your local research data team about this.

Before sharing data, you should check whether the data is subject to **copyright protection or other protective rights**.
In the 4th phase, as the name suggests, the focus is on the **analysis and interpretation of the data**. After analysing the data, the data should be evaluated. You should also consider **sharing the data** with colleagues in a closed and secure environment like on a project or working group level. Secure environments for sharing data are often provided by universities or federal states through Sync&share solutions. Consult your local research data team about this.

Before sharing data, you should check whether the data is subject to **copyright protection or other protective rights**.

## Phase 5: Disclosure/ Publication

During this exchange and the associated reflections on the data, you should think about archiving and using the data in scientific publications. If you are not aware of any **criteria for archiving** and no criteria are specified in your working group or institute, decision-making guides such as the [“5 steps to decide what data to keep”](https://www.dcc.ac.uk/guidance/how-guides/five-steps-decide-what-data-keep) outlined by the DCC can help. Based on the established criteria, it is determined which of the collected raw data should be archived and which should be deliberately deleted.
During this exchange and the associated reflections on the data, you should think about archiving and using the data in scientific publications. If you are not aware of any **criteria for archiving** and no criteria are specified in your working group or institute, decision-making guides such as the [“5 steps to decide what data to keep”](https://www.dcc.ac.uk/guidance/how-guides/five-steps-decide-what-data-keep) outlined by the DCC can help. Based on the established criteria, it is determined which of the collected raw data should be archived and which should be deliberately deleted.

In addition to the criteria, the migration of the data into **suitable [formats](/docs/format_standards) and onto suitable media** is important for archiving the data. In this step, the data should again be enriched with metadata so that it can be understood in the future without further knowledge about the data.
In addition to archiving, the [publication](/docs/data_publishing) of the data plays a special role. Many research funders expect the data to be published if there are no special reasons not to do so, such as a non-disclosure agreement or the inclusion of personal data. A **chemistry-specific or chemistry-related [repository](/docs/repositories)** such as the [Chemotion Repository](https://www.chemotion-repository.net/), [NOMAD](https://nomad-lab.eu/services/repo-arch), or [MassBank](https://massbank.eu/MassBank/) is recommended for the publication of data. An overview of repositories can be found, for example, at [re3data.org](https://www.re3data.org/) or [fairsharing.org](https://fairsharing.org/). re3data.org allows you to filter repositories according to certain criteria such as the assignment of a persistent identifier or access.
In addition to archiving, the [publication](/docs/data_publishing) of the data plays a special role. Many research funders expect the data to be published if there are no special reasons not to do so, such as a non-disclosure agreement or the inclusion of personal data. A **chemistry-specific or chemistry-related [repository](/docs/repositories)** such as the [Chemotion Repository](https://www.chemotion-repository.net/), [NOMAD](https://nomad-lab.eu/services/repo-arch), or [MassBank](https://massbank.eu/MassBank/) is recommended for the publication of data. An overview of repositories can be found, for example, at [re3data.org](https://www.re3data.org/) or [fairsharing.org](https://fairsharing.org/). re3data.org allows you to filter repositories according to certain criteria such as the assignment of a persistent identifier or access.
Data publishing often takes place at certain milestones, for example, in combination with a text publication or at the end of a project. The **final version of the data management plan** is also required at the end of a project.

## Phase 6: Re-use
Expand All @@ -52,7 +55,7 @@ In the re-use phase, you or others conduct further research on how the data can

In order to return these data to the cycle, it is important that these data are described in detail with metadata, that proper documentation has been carried out in the form of a DMP, and that the data are citable.

What is the potential of your data?
What is the potential of your data?

## Sources and further information

Expand All @@ -61,4 +64,4 @@ What is the potential of your data?
- [Review of data management lifecycle models](https://researchportal.bath.ac.uk/en/publications/review-of-data-management-lifecycle-models)
- [DCC: 5 steps to decide what data to keep](https://www.dcc.ac.uk/guidance/how-guides/)
- German: [Überblick zum Management von Forschungsdaten (FDM I) = Research Data Management - An Overview](https://doi.org/10.18154/RWTH-2019-06489)
- German: [Forschungsdaten.info: Informieren und Planen](https://www.forschungsdaten.info/themen/informieren-und-planen/datenlebenszyklus/ )
- German: [Forschungsdaten.info: Informieren und Planen](https://www.forschungsdaten.info/themen/informieren-und-planen/datenlebenszyklus/)
7 changes: 4 additions & 3 deletions docs/10_domains/00_domain_guide.mdx
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,8 @@ slug: "/domain_guide"
id: "domains_guide"
---

import N4CFeatures from '/src/components/N4CFeatures.js';
import Features from "@site/src/components/features/Features";
import domains from "@site/src/data/domains";

Looking for information on managing research data in chemistry? Choose your chemical domain and find discipline-specific help on research data management.

Expand All @@ -18,8 +19,8 @@ The domain-specific profiles provide an overview of the individual RDM steps. Th
- data producing methods (including a table with recommendations on interoperable open file formats)
- data analysis
- publication of research data
:::
:::

Click on a button below to get started with your chemical domain. The domain-specific profiles will be continuously updated based on new developments and feedback.

<N4CFeatures feature="domains" />
<Features featureList={domains} />
14 changes: 7 additions & 7 deletions docs/10_domains/10_analytical_chemistry.mdx
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,7 @@ nfdi4chem-id: dac
slug: "/analytical_chemistry"
---

import { LbeChip } from "@site/src/components/lbe/LbeElements.js";
import LbeChip from "@site/src/components/commons/LbeChip.js";
import ElnFinder from "@site/src/components/eln/ElnFinder.js";

<LbeChip title="analytical chemistry" />
Expand Down Expand Up @@ -44,12 +44,12 @@ General data repositories include [Zenodo](https://zenodo.org/) or [RADAR4Chem](

For method-specific data, several specialised repositories are available. A few examples include:

- [MassBank EU](https://massbank.eu/)
A field-specific ecosystem of databases and tools for mass spectrometry reference spectra.
- [MetaboLights](https://www.ebi.ac.uk/metabolights/)
A repository for metabolomic studies.
- [nmrXiv](https://nmrxiv.org/)
A repository for NMR data.
- [MassBank EU](https://massbank.eu/)
A field-specific ecosystem of databases and tools for mass spectrometry reference spectra.
- [MetaboLights](https://www.ebi.ac.uk/metabolights/)
A repository for metabolomic studies.
- [nmrXiv](https://nmrxiv.org/)
A repository for NMR data.

This list is not exhaustive, and there may be other repositories that are more suitable for your data.

Expand Down
3 changes: 2 additions & 1 deletion docs/10_domains/20_electrochemistry.mdx
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,8 @@ title: "Electrochemistry"
slug: "/electrochemistry"
---

import { LbeChip } from "@site/src/components/lbe/LbeElements.js";
import LbeChip from "@site/src/components/commons/LbeChip.js";

import ElnFinder from "@site/src/components/eln/ElnFinder.js";

<LbeChip title="physical chemistry" />
Expand Down
3 changes: 2 additions & 1 deletion docs/10_domains/30_pharmaceutical_chemistry.mdx
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,8 @@ title: "Medicinal / Pharmaceutical Chemistry"
slug: "/pharmaceutical_chemistry"
---

import { LbeChip } from "@site/src/components/lbe/LbeElements.js";
import LbeChip from "@site/src/components/commons/LbeChip.js";

import ElnFinderPharm from "@site/src/components/eln/ElnFinderPharm.js";

<LbeChip title="medicinal chemistry" />
Expand Down
3 changes: 2 additions & 1 deletion docs/10_domains/40_physical_chemistry.mdx
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,8 @@ title: "Physical and Computational Chemistry"
slug: "/physical_chemistry"
---

import { LbeChip } from "@site/src/components/lbe/LbeElements.js";
import LbeChip from "@site/src/components/commons/LbeChip.js";

import ElnFinder from "@site/src/components/eln/ElnFinder.js";

<LbeChip title="physical chemistry" />
Expand Down
3 changes: 2 additions & 1 deletion docs/10_domains/60_synthetic_chemistry.mdx
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,8 @@ nfdi4chem-id: dsoic
slug: "/synthetic_chemistry"
---

import { LbeChip } from "@site/src/components/lbe/LbeElements.js";
import LbeChip from "@site/src/components/commons/LbeChip.js";

import ElnFinder from "@site/src/components/eln/ElnFinder.js";

<LbeChip title="inorganic chemistry" />
Expand Down
7 changes: 4 additions & 3 deletions docs/20_role/00_role_guide.mdx
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,8 @@ slug: "/role_guide"
id: "role_guide"
---

import N4CFeatures from '/src/components/N4CFeatures.js';
import Features from "@site/src/components/features/Features";
import roles from "@site/src/data/roles";

Looking for information on managing research data in chemistry? Choose your role and find solutions for role-specific data management issues.

Expand All @@ -14,8 +15,8 @@ The role pages provide an overview of the individual RDM steps. The following to
- motivation
- how to start
- what RDM aspects are particularly relevant to your role
:::
:::

Click on a button below to get started with your role.

<N4CFeatures feature="roles" />
<Features featureList={roles} />
Loading