From 61bba0602855e37ce0ed1d3ea5ba8cbfbddbab4e Mon Sep 17 00:00:00 2001
From: Ted-Bender <122031815+Ted-Bender@users.noreply.github.com>
Date: Mon, 6 Jul 2026 13:06:26 +0200
Subject: [PATCH 1/7] Add files via upload
---
static/img/topics/CAS.svg | 97 ++++++++++++++++++++++++
static/img/topics/InChITrust-padded.jpg | Bin 0 -> 49712 bytes
2 files changed, 97 insertions(+)
create mode 100644 static/img/topics/CAS.svg
create mode 100644 static/img/topics/InChITrust-padded.jpg
diff --git a/static/img/topics/CAS.svg b/static/img/topics/CAS.svg
new file mode 100644
index 00000000..af155b5f
--- /dev/null
+++ b/static/img/topics/CAS.svg
@@ -0,0 +1,97 @@
+
+
\ No newline at end of file
diff --git a/static/img/topics/InChITrust-padded.jpg b/static/img/topics/InChITrust-padded.jpg
new file mode 100644
index 0000000000000000000000000000000000000000..8edaef4735590eb452d1760267f82358bbfa6428
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Date: Mon, 6 Jul 2026 13:22:09 +0200
Subject: [PATCH 2/7] Update 10_pid.mdx
Not finished
---
docs/60_topics/61_identifiers/10_pid.mdx | 62 +++++++++++++++++++-----
1 file changed, 51 insertions(+), 11 deletions(-)
diff --git a/docs/60_topics/61_identifiers/10_pid.mdx b/docs/60_topics/61_identifiers/10_pid.mdx
index dedf2d29..68cf57f1 100644
--- a/docs/60_topics/61_identifiers/10_pid.mdx
+++ b/docs/60_topics/61_identifiers/10_pid.mdx
@@ -11,11 +11,14 @@ import ButtonContainer from "@site/src/components/features/ButtonContainer.js";
[Persistent identifiers](https://doi.org/10.5334/dsj-2017-009) (PIDs) are unique, long-lasting references to identified sources, such as publications, datasets, institutions, persons or analytical instrumentation, and allow to reliably locate, identify, and verify the references.
-The two main PIDs employed within the chemistry community are Digital Object Identifiers ([DOIs](https://www.doi.org/)) as PIDs for objects such as publications, datasets, or software as well as [Open Research and Contributor iDs](https://doi.org/10.1087/20120404) ([ORCID iDs](https://orchid.org/)) for people. Additionally, the [Research Organization Registry](https://doi.org/10.6087/kcse.192) ([ROR](https://ror.org/)) is used to identify research institutions. Current development also includes [Persistent Identification of Instruments](https://doi.org/10.5334/dsj-2020-018) ([PIDINST](https://docs.pidinst.org/)) as PIDs for the instrumentation used to obtain research data. The Persistent Identifiers for eResearch ([ePIC](https://www.pidconsortium.net/)) is specifically designated for digital research data storage.
+The two main PIDs employed within the chemistry community are Digital Object Identifiers ([DOIs](https://www.doi.org/)) as PIDs for objects such as publications, datasets, or software as well as [Open Research and Contributor iDs](https://doi.org/10.1087/20120404) ([ORCID iDs](https://orchid.org/)) for people. Additionally, the [Research Organization Registry](https://doi.org/10.6087/kcse.192) ([ROR](https://ror.org/)) is used to identify research institutions. ([InChI](https://www.inchi-trust.org/)) and ([CAS](https://www.cas.org/) are technical identifier for chemical compounds and substances. Current development also includes [Persistent Identification of Instruments](https://doi.org/10.5334/dsj-2020-018) ([PIDINST](https://docs.pidinst.org/)) as PIDs for the instrumentation used to obtain research data. The Persistent Identifiers for eResearch ([ePIC](https://www.pidconsortium.net/)) is specifically designated for digital research data storage.
-The main benefits of PIDs for chemistry researchers are increased findability, visibility, and ease of access of their scientific work. In the context of research data, PIDs are especially useful to interconnect publications and datasets in repositories.
+The main benefits of PIDs are increased findability, visibility, and ease of access of their scientific work. In the context of research data, PIDs are especially useful to interconnect publications and datasets in repositories.
-## DOIs
+## About the individual PIDs
+
+
+### DOI
-[ORCID iDs](https://orchid.org/) are open and non-proprietary PIDs for authors also described as unique author identifiers and can be retrieved and used by any author free of charge. They are provided by the non-profit organization ORCID Inc., formerly called Open Research and Contributors ID organisation, and sustained by fees of member organisations, providing extended application program interfaces (API) for their members to integrate ORCID services.
+[ORCID iDs](https://orchid.org/) are open and non-proprietary PIDs for authors that can be used by any author free of charge. They are provided by the non-profit organization ORCID Inc., providing extended application program interfaces (API) for their members to integrate ORCID services.
An ORCID iD is a [16-digit alphanumerical code](https://support.orcid.org/hc/en-us/articles/360006897674-Structure-of-the-ORCID-Identifier) to unambiguously identify authors, whille author names might not be unique, may change, or may have different ordering conventions depending on cultural differences. ORCID iDs can be depicted as an URL, e.g. `https://orcid.org/0000-0000-0000-0000` but are also typically depicted without the resolver as an URN, e.g. `ORCID:0000-0000-0000-0000`. ORCID iDs are a subset of International Standards Name Identifiers (ISNI) provided by the [International Organisation for Standardisation](https://www.iso.org/) (ISO) as [ISO 27729](https://www.iso.org/standard/44292.html).
@@ -69,7 +70,7 @@ The [ORCID record](https://doi.org/10.1038/462825a) connected to ORCID iDs inclu
In addition to ORCID iDs as non-proprietary PIDs for authors, there are also proprietary author identifiers such as Thomson Reuters’ [Web of Science ResearcherID](https://www.researcherid.com/#rid-for-researchers) and Elsevier’s [Scopus Author ID](https://www.scopus.com/freelookup/form/author.uri).
-## Resarch Organisation Registry
+### Resarch Organisation Registry
+
+The InChI ([International Chemical Identifier](https://www.inchi-trust.org/)) is a standardised, text-based identification system for chemical compounds. It was developed under the auspices of ([IUPAC](https://iupac.org/)) to represent chemical structures unambiguously and in a machine-readable format. The aim of the system is to facilitate the exchange of chemical information between databases, scientific publications and software applications.
+
+An InChI describes the structure of a chemical compound using a defined character string, e.g. InChI=1S/CH4/h1H4 for CH4 (methane). Information on the molecular formula, atomic bonding, hydrogen atoms, charges, stereochemistry and isotopic compositions is encoded across several successive levels (‘layers’). This standardised representation enables identical chemical structures to be reliably recognised even when they are stored in different databases or programmes.
+
+The InChIKey is a shortened form of the InChI. It is a compact hash code consisting of letters, generated from the InChI. The InChIKey is particularly suitable for internet searches and for the rapid indexing of large datasets.
+
+The key advantages of InChI include its openness, its international standardisation and its high level of interoperability. Unlike proprietary identification systems, the standard can be used freely.
+
+
+ ### CAS-Number
+
+
+
+The CAS number (Chemical Abstracts Service Registry Number, ([CAS](https://www.cas.org/) RN®) is a globally recognised identification system for chemical substances. It is assigned by the Chemical Abstracts Service and is used to uniquely identify chemical compounds, polymers, alloys, biomolecules and other substances. The use of CAS numbers allows substances to be uniquely identified, regardless of their name or the language used.
+
+A CAS number consists of three blocks of numbers separated by hyphens, for example 7732-18-5 for water. The last block of numbers contains a check digit. The number itself does not contain any information about the chemical structure or properties of a substance, but serves solely as a unique identifier.
+
+The register comprises many millions of substances and is continually being expanded. CAS numbers are used in safety data sheets, scientific publications, patent documents, substance databases and regulatory frameworks. They facilitate the search for chemical substances and help to avoid confusion that may arise from different common names, trade names or systematic names.
+
+Due to its uniqueness and widespread use, the CAS number is regarded as one of the most important identifiers for chemical substances. However, unlike structure-based identifiers such as InChI, the CAS number does not provide any information about the molecular structure of a compound.
+
+
+### ePICs
Date: Tue, 7 Jul 2026 15:02:53 +0200
Subject: [PATCH 3/7] Update 10_pid.mdx
---
docs/60_topics/61_identifiers/10_pid.mdx | 10 +++++-----
1 file changed, 5 insertions(+), 5 deletions(-)
diff --git a/docs/60_topics/61_identifiers/10_pid.mdx b/docs/60_topics/61_identifiers/10_pid.mdx
index 68cf57f1..c392e1a8 100644
--- a/docs/60_topics/61_identifiers/10_pid.mdx
+++ b/docs/60_topics/61_identifiers/10_pid.mdx
@@ -62,13 +62,13 @@ Registrants are [liable](https://support.datacite.org/docs/doi-registration-poli
float="left"
/>
-[ORCID iDs](https://orchid.org/) are open and non-proprietary PIDs for authors that can be used by any author free of charge. They are provided by the non-profit organization ORCID Inc., providing extended application program interfaces (API) for their members to integrate ORCID services.
+[ORCID iDs](https://orchid.org/) are open and non-proprietary PIDs for authors that can be used by any author free of charge. They are provided by the non-profit organization ORCID Inc., providing application program interfaces (API) for their members to integrate ORCID services.
-An ORCID iD is a [16-digit alphanumerical code](https://support.orcid.org/hc/en-us/articles/360006897674-Structure-of-the-ORCID-Identifier) to unambiguously identify authors, whille author names might not be unique, may change, or may have different ordering conventions depending on cultural differences. ORCID iDs can be depicted as an URL, e.g. `https://orcid.org/0000-0000-0000-0000` but are also typically depicted without the resolver as an URN, e.g. `ORCID:0000-0000-0000-0000`. ORCID iDs are a subset of International Standards Name Identifiers (ISNI) provided by the [International Organisation for Standardisation](https://www.iso.org/) (ISO) as [ISO 27729](https://www.iso.org/standard/44292.html).
+An ORCID iD is a [16-digit alphanumerical code](https://support.orcid.org/hc/en-us/articles/360006897674-Structure-of-the-ORCID-Identifier) to unambiguously identify authors, whille author names might not be unique, may change, or may have different ordering conventions depending on cultural differences. ORCID iDs can be depicted as an URL, e.g. `https://orcid.org/0000-0000-0000-0000` and typically as an URN, e.g. `ORCID:0000-0000-0000-0000`. ORCID iDs are a subset of International Standards Name Identifiers (ISNI) provided by the [International Organisation for Standardisation](https://www.iso.org/) (ISO) as [ISO 27729](https://www.iso.org/standard/44292.html).
-The [ORCID record](https://doi.org/10.1038/462825a) connected to ORCID iDs includes the bibliographic output and may also provide information on employment, education and qualification, invited positions and distinctions, memberships as well as service and funding, depending on the privacy setting made by the author.
+The [ORCID record](https://doi.org/10.1038/462825a) connected to ORCID iDs includes the bibliographic output and may also provide information on employment, education and qualification, invited positions and distinctions, memberships as well as service and funding.
-In addition to ORCID iDs as non-proprietary PIDs for authors, there are also proprietary author identifiers such as Thomson Reuters’ [Web of Science ResearcherID](https://www.researcherid.com/#rid-for-researchers) and Elsevier’s [Scopus Author ID](https://www.scopus.com/freelookup/form/author.uri).
+In addition to non-proprietary ORCID iD, there are also proprietary author identifiers such as Thomson Reuters’ [Web of Science ResearcherID](https://www.researcherid.com/#rid-for-researchers) and Elsevier’s [Scopus Author ID](https://www.scopus.com/freelookup/form/author.uri).
### Resarch Organisation Registry
@@ -148,7 +148,7 @@ This type of PID will commonly lead to a landing page, the content of which is m
/>
The Archival Research Key ([ARK](https://arks.org/about/ark-overview/)) are open identifiers hich are assigned to physical and digital information objects, mostly in the cultural studies.
-ARK prefixes are centrally assigned on request by the ARK Alliance and can be resolved centrally on services like [N2T](https://n2t.net/). More information is provided on the [ARK overview page](https://arks.org/about/ark-overview/#resolvers).
+ARK prefixes are centrally assigned on request by the ARK Alliance and can be resolved centrally on services like [N2T](https://n2t.net/).
The single ARKs are assigned and managed by the single institutions on an own server. Other that DOIs, they are free of charge.
An ARK usually has the form `ark:12148/btv1b8449691v/f29` and can be combined with different ARK URI prefixes leading to different resolving servers.
Attaching a `?` at the end of an ARK allows adding a structured description of the resource.
From 096d35f54e10a0c46b3694a9a445c39c8c4bf4f2 Mon Sep 17 00:00:00 2001
From: Johannes Liermann
Date: Tue, 7 Jul 2026 15:27:33 +0200
Subject: [PATCH 4/7] fix: link
---
docs/20_role/10_research_group_leader.mdx | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/docs/20_role/10_research_group_leader.mdx b/docs/20_role/10_research_group_leader.mdx
index 6402684d..5f868fd6 100644
--- a/docs/20_role/10_research_group_leader.mdx
+++ b/docs/20_role/10_research_group_leader.mdx
@@ -56,7 +56,7 @@ The [Chemotion introductory video](https://www.youtube.com/watch?v=tZHaP6DW-Dw)
:::
-If you are already working with another ELN or prefer to stay with the traditional notebook, the data should still be published in a repository in a [FAIR manner](/docs/fair). Multiple [repositories](/docs/repositories/) already exist in chemistry. Nevertheless, even without using the Chemotion ELN, the data can still be transferred to the Chemotion Repository. Advantages of the Chemotion Repository include the assignment of a [DOI](/docs/pid/#dois) to the molecule and the collection of all analytical data in one place.
+If you are already working with another ELN or prefer to stay with the traditional notebook, the data should still be published in a repository in a [FAIR manner](/docs/fair). Multiple [repositories](/docs/repositories/) already exist in chemistry. Nevertheless, even without using the Chemotion ELN, the data can still be transferred to the Chemotion Repository. Advantages of the Chemotion Repository include the assignment of a [DOI](/docs/pid/#doi) to the molecule and the collection of all analytical data in one place.
MS data can be deposited at [MassBank](https://massbank.eu/MassBank). With [nmrXiv](https://docs.nmrxiv.org/), a similar repository for NMR data is currently under construction. Computational data are well-preserved at [ioChem-BD](https://www.iochem-bd.org/).
From ad99712ce423a5ab98646163af9ac2a1fe1e0762 Mon Sep 17 00:00:00 2001
From: Johannes Liermann
Date: Tue, 7 Jul 2026 15:33:34 +0200
Subject: [PATCH 5/7] fix: add anchors
---
docs/60_topics/61_identifiers/10_pid.mdx | 24 ++++++++++--------------
1 file changed, 10 insertions(+), 14 deletions(-)
diff --git a/docs/60_topics/61_identifiers/10_pid.mdx b/docs/60_topics/61_identifiers/10_pid.mdx
index c392e1a8..f714dcf7 100644
--- a/docs/60_topics/61_identifiers/10_pid.mdx
+++ b/docs/60_topics/61_identifiers/10_pid.mdx
@@ -17,8 +17,7 @@ The main benefits of PIDs are increased findability, visibility, and ease of acc
## About the individual PIDs
-
-### DOI
+### DOIs {#doi}
-[ORCID iDs](https://orchid.org/) are open and non-proprietary PIDs for authors that can be used by any author free of charge. They are provided by the non-profit organization ORCID Inc., providing application program interfaces (API) for their members to integrate ORCID services.
+[ORCID iDs](https://orchid.org/) are open and non-proprietary PIDs for authors that can be used by any author free of charge. They are provided by the non-profit organization ORCID Inc., providing application program interfaces (API) for their members to integrate ORCID services.
An ORCID iD is a [16-digit alphanumerical code](https://support.orcid.org/hc/en-us/articles/360006897674-Structure-of-the-ORCID-Identifier) to unambiguously identify authors, whille author names might not be unique, may change, or may have different ordering conventions depending on cultural differences. ORCID iDs can be depicted as an URL, e.g. `https://orcid.org/0000-0000-0000-0000` and typically as an URN, e.g. `ORCID:0000-0000-0000-0000`. ORCID iDs are a subset of International Standards Name Identifiers (ISNI) provided by the [International Organisation for Standardisation](https://www.iso.org/) (ISO) as [ISO 27729](https://www.iso.org/standard/44292.html).
@@ -70,7 +69,7 @@ The [ORCID record](https://doi.org/10.1038/462825a) connected to ORCID iDs inclu
In addition to non-proprietary ORCID iD, there are also proprietary author identifiers such as Thomson Reuters’ [Web of Science ResearcherID](https://www.researcherid.com/#rid-for-researchers) and Elsevier’s [Scopus Author ID](https://www.scopus.com/freelookup/form/author.uri).
-### Resarch Organisation Registry
+### Research Organisation Registry {#ror}
The Archival Research Key ([ARK](https://arks.org/about/ark-overview/)) are open identifiers hich are assigned to physical and digital information objects, mostly in the cultural studies.
-ARK prefixes are centrally assigned on request by the ARK Alliance and can be resolved centrally on services like [N2T](https://n2t.net/).
+ARK prefixes are centrally assigned on request by the ARK Alliance and can be resolved centrally on services like [N2T](https://n2t.net/).
The single ARKs are assigned and managed by the single institutions on an own server. Other that DOIs, they are free of charge.
An ARK usually has the form `ark:12148/btv1b8449691v/f29` and can be combined with different ARK URI prefixes leading to different resolving servers.
Attaching a `?` at the end of an ARK allows adding a structured description of the resource.
From 9a036ee0aff672b75f769a33549b791b9594195f Mon Sep 17 00:00:00 2001
From: Ted-Bender <122031815+Ted-Bender@users.noreply.github.com>
Date: Wed, 8 Jul 2026 13:22:13 +0200
Subject: [PATCH 6/7] Update 10_pid.mdx
CAS-Logo entfernt
---
docs/60_topics/61_identifiers/10_pid.mdx | 8 --------
1 file changed, 8 deletions(-)
diff --git a/docs/60_topics/61_identifiers/10_pid.mdx b/docs/60_topics/61_identifiers/10_pid.mdx
index f714dcf7..0305e89b 100644
--- a/docs/60_topics/61_identifiers/10_pid.mdx
+++ b/docs/60_topics/61_identifiers/10_pid.mdx
@@ -104,14 +104,6 @@ The key advantages of InChI include its openness, its international standardisat
### CAS-Number {#cas}
-
-
The CAS number (Chemical Abstracts Service Registry Number, ([CAS](https://www.cas.org/) RN®) is a globally recognised identification system for chemical substances. It is assigned by the Chemical Abstracts Service and is used to uniquely identify chemical compounds, polymers, alloys, biomolecules and other substances. The use of CAS numbers allows substances to be uniquely identified, regardless of their name or the language used.
A CAS number consists of three blocks of numbers separated by hyphens, for example 7732-18-5 for water. The last block of numbers contains a check digit. The number itself does not contain any information about the chemical structure or properties of a substance, but serves solely as a unique identifier.
From 297fd2ebbbe5d98076cf7e3bb6730db91bb0e5a6 Mon Sep 17 00:00:00 2001
From: Johannes Liermann
Date: Wed, 8 Jul 2026 13:24:52 +0200
Subject: [PATCH 7/7] chore: delete unnec. file
---
static/img/topics/CAS.svg | 97 ---------------------------------------
1 file changed, 97 deletions(-)
delete mode 100644 static/img/topics/CAS.svg
diff --git a/static/img/topics/CAS.svg b/static/img/topics/CAS.svg
deleted file mode 100644
index af155b5f..00000000
--- a/static/img/topics/CAS.svg
+++ /dev/null
@@ -1,97 +0,0 @@
-
-