Merge pull request #7 from arjunneyyathalaCat/main

Change in CatCore description

Author: HendrikBorgelt

docs/about.md

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 # About CatCore
+Robust data-sharing guidelines are essential in catalysis research to guarantee high-quality metadata, reproducibility, and the sustained progress of digital catalysis. To establish community-accepted guidelines for reporting metadata in this field, CatCore (an initiative under NFDI4Cat) specifies the minimum information that go beyond the conventional field-independent metadata, and should be reported with the catalysis research data. This guideline should help users to handle and standarise data in this versatile research field based on the FAIR principle (F-indable, A-ccessible, I-nteroperable, R-eusable). Integration of CatCore into data repositories ensures the availability of high-quality metadata and facilitates efficient access to and querying of published datasets.
+The terminology employed in CatCore is based on Voc4Cat (developed under NFDI4Cat), which supports standardized semantic representation and advances ontology development efforts. Terms not yet covered by Voc4Cat are provisionally defined within the model and incorporated as the vocabulary is updated. Structurally, the model consists of two parts: “Inner CatCore” and “Expanded CatCore”. Within these layers, data fields are organized hierarchically, following a parent–child relationship. The inner CatCore describes the most fundamental metadata which is mandatory to describe the research on the most general level with the goal of facilitating a categorization of the research data and help researchers to make their data findable. The expanded CatCore contains the data classes 'Synthesis', 'Reaction', 'Characterization' and 'Simulation'. The data fields are classified as “Mandatory,” “Recommended,” and “Optional” to reflect their relative priority. This classification helps users identify the minimum required metadata necessary to ensure data quality, while also allowing the inclusion of additional information that, although not mandatory, further enhances the value and usability of the data. Moreover, this prioritization facilitates the efficient handling and management of the large volumes of metadata generated by experimental devices and computation. 
+The CatCore model is a “living organism” that evolves through user feedback on the addition, removal, and modification of data fields, for which provisions are provided on this webpage through the “Submit Term Feedback” button. All feedback and suggestions are reviewed by the CatCore development team and incorporated as appropriate based on their relevance and impact. 
 
-A metadata collection for catalysis related research
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+<img width="410" height="315" alt="image" src="https://github.com/user-attachments/assets/5426ea14-5847-4da3-a898-d66b3c192c77" />
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+Inner CatCore: The inner CatCore defines the most fundamental metadata, which are mandatory for describing research at a general level. Its goal is to facilitate consistent categorization of research data and assist researchers in making their datasets more easily findable. The data classes in the inner CatCore consists of Catalysis Research Field (Mandatory), Reaction type (Mandatory), Active Site (Recommended) and Identifier (Recommended).
+Catalysis Research Field: This section describes the different types of catalysis, including homogeneous, heterogeneous, electrocatalysis, and hybrid catalysis. It also provides provisions for specifying other types of catalysis that do not fall within these categories. 
+Reaction type: The catalytic reaction under investigation (examples: hydrogenation, oxidation, hydroformylation, etc.)
+Active Site: It is recommended to specify the primary species in the catalyst responsible for catalytic activity. The expected value for this field is a text entry identifying a molecule, element, or other relevant species, with the option to provide multiple entries if applicable.  
+Identifier: It is the identification of the catalyst through user defined labels.