Repeatability of study setups and reproducibility of research results by underlying data are major requirements in science. Until now, abstract models for describing the structural logic of studies in environmental sciences are lacking and tools for data management are insufficient. Mandatory for repeatability and reproducibility is the use of sophisticated data management solutions going beyond data file sharing. Particularly, it implies maintenance of coherent data along workflows. Design data concern elements from elementary domains of operations being transformation, measurement and transaction. Operation design elements and method information are specified for each consecutive workflow segment from field to laboratory campaigns. The strict linkage of operation design element values, operation values and objects is essential. For enabling coherence of corresponding objects along consecutive workflow segments, the assignment of unique identifiers and the specification of their relations are mandatory. The abstract model presented here addresses these aspects, and the software DiversityDescriptions (DWB-DD) facilitates the management of thusly connected digital data objects and structures. DWB-DD allows for an individual specification of operation design elements and their linking to objects. Two workflow design use cases, one for DNA barcoding and another for cultivation of fungal isolates, are given. To publish those structured data, standard schema mapping and XML-provision of digital objects are essential. Schemas useful for this mapping include the Ecological Markup Language, the Schema for Meta-omics Data of Collection Objects and the Standard for Structured Descriptive Data. Data pipelines with DWB-DD include the mapping and conversion between schemas and functions for data publishing and archiving according to the Open Archival Information System standard. The setting allows for repeatability of study setups, reproducibility of study results and for supporting work groups to structure and maintain their data from the beginning of a study. The theory of ‘FAIR++’ digital objects is introduced.

With the advent of advanced molecular meta-omics techniques and methods, a new era commenced for analysing and characterizing historic collection specimens, as well as recently collected environmental samples. Nucleic acid and protein sequencing-based analyses are increasingly applied to determine the origin, identity and traits of environmental (biological) objects and organisms. In this context, the need for new data structures is evident and former approaches for data processing need to be expanded according to the new meta-omics techniques and operational standards. Existing schemas and community standards in the biodiversity and molecular domain concentrate on terms important for data exchange and publication. Detailed operational aspects of origin and laboratory as well as object and data management issues are frequently neglected. Meta-omics Data and Collection Objects (MOD-CO) has therefore been set up as a new schema for meta-omics research, with a hierarchical organization of the concepts describing collection samples, as well as products and data objects being generated during operational workflows. It is focussed on object trait descriptions as well as on operational aspects and thereby may serve as a backbone for R&D laboratory information management systems with functions of an electronic laboratory notebook. The schema in its current version 1.0 includes 653 concepts and 1810 predefined concept values, being equivalent to descriptors and descriptor states, respectively. It is published in several representations, like a Semantic Media Wiki publication with 2463 interlinked Wiki pages for concepts and concept values, being grouped in 37 concept collections and subcollections. The SQL database application DiversityDescriptions, a generic tool for maintaining descriptive data and schemas, has been applied for setting up and testing MOD-CO and for concept mapping on elements of corresponding schemas.

Nucleic acid and protein sequencing-based analyses are increasingly applied to determine origin, identity and traits of environmental (biological) objects and organisms. In this context, the need for corresponding data structures has become evident. As existing schemas and community standards in the domains of biodiversity and molecular biological research are comparatively limited with regard to the number of generic and specific elements, previous schemas for describing the physical and digital objects need to be replaced or expanded by new elements for covering the requirements from meta-omics techniques and operational details. On the one hand, schemas and standards are hitherto mostly focussed on elements, descriptors, or concepts that are relevant for data exchange and publication, on the other hand, detailed operational aspects regarding origin context and laboratory processing, as well as data management details, like the documentation of physical and digital object identifiers, are rather neglected. The conceptual schema for Meta-omics Data and Collection Objects (MOD-CO; https://www.mod-co.net/) has been set up recently Rambold et al. 2019. It includes design elements (descriptors or concepts), describing structural and operational details along the work- and dataflow from gathering environmental samples to the various transformation, transaction, and measurement steps in the laboratory up to sample and data publication and archiving. The concepts are named according to a multipartite naming structure, describing internal hierarchies and are arranged in concept (sub-)collections. By supporting various kinds of data record relationships, the schema allows for the concatenation of individual records of the operational segments along a workflow (Fig. 1). Thus, it may serve as a logical and structural backbone for laboratory information management systems. The concept structure in version 1.0 comprises 653 descriptors (concepts) and 1,810 predefined descriptor states, organised in 37 concept (sub-)collections. The published version 1.0 is available as various schema representations of identical content (https://www.mod-co.net/wiki/Schema_Representations). A normative XSD (= XML Schema Definition) for the schema version 1.0 is available under http://schema.mod-o.net/MOD-CO_1.0.xsd. The MOD-CO concepts might be integrated as descriptor/element structures in the relational database DiversityDescriptions (DWB-DD) an open-source and freely available software of the Diversity Workbench (DWB; https://diversityworkbench.net/Portal/DiversityDescriptions; https://diversityworkbench.net). Currently, DWB-DD is installed at the Data Center of the Bavarian Natural History Collections (SNSB) to build an instance of its own for storing and maintaining MOD-CO-structured meta-omics research data packages and enrich them with ‘metadata’ elements from the community standards Ecological Markup Language (EML), Minimum Information about any (x) Sequence (MIxS), Darwin Core (DwC) and Access to Biological Collection Data (ABCD). These activities are achieved in the context of ongoing FAIR ('Findable, Accessible, Interoperable and Reuseable') biodiversity research data publishing via the German Federation for Biological Data (GFBio) network (https://www.gfbio.org/). Version 1.1 of the schema with extended collections of structural and operational design concepts is scheduled for 2020.

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