Definitions

Scientific Data Types

In our Service, “Scientific Data” refers to quantifiable or qualitative information derived from systematic observational, experimental, or computational investigations that enables other researchers and computational systems to find, access, integrate, and reuse them effectively. The notion of scientific data encompasses not only the raw and processed data but also the associated metadata, algorithms, and workflows that ensure the data's transparency, reproducibility, and interoperability across various disciplinary and technological boundaries.

We refer to scientific data from two different perspectives, as shown in the figure below.

First, by categorizing Scientific Data by “Management Type”, we can unambiguously assign legal ownership and access rights of the Scientific Data.

By categorizing Experiment Data by “Experiment Data Type”, we can clearly define specific measures we implement to safeguard quality and authenticity of the Experiment Data. The different Experiment Data Types further allow us to clearly define policies and guidelines in the context of FAIR data.

Definitions of Management Types

• Experiment Data
  Scientific data that is generated through experimental activities under laboratory conditions or is derived during the course of processing and analysis or that is required to perform said processing and analysis tasks.
  Examples: See Definitions of Experiment Data Types
• Team / Project Data
  Scientific data stored, processed, or shared within a scientific team, e.g. a workgroup, laboratory, project team, etc.
  Examples: Publication manuscript, offsite measurements, beamtime proposal, …
• Personal Scientific Data
  Scientific data stored or processed in your personal user repository.
  Examples: First draft of proposal, thesis draft, personal code components, …

The main purpose of Team, Project and Personal data is to foster collaboration between scientists and facilitate sharing of insights and knowledge. 

On the contrary, Experiment Data is actively handled, managed and generated (e.g. processed) using our Service. As such, we use a clear framework to (i) ensure data quality and retention according to the FAIR principles as well as to (ii) ensure adequate safeguard measures to protect authenticity of such data. 

Definitions of Experiment Data Types

• Raw Data

The unaltered, direct outputs from experimental procedures, representing the primary collected material prior to any processing, analysis, or interpretation.

Examples: Detector images, fluorescence spectra, camera images, …

• Metadata

Information that provides context, explanation, or description about the primary data, including how, when, and by whom the data was collected and how it is formatted, aiding in its identification, management, and understanding.

Examples: Motor positions, author affiliation, energy settings, notebook, …

• Processed Data

Data that has undergone computational or analytical transformation, cleaning, or derivation from the Raw Data to eliminate errors, enhance quality, or prepare for interpretation and further analysis.

Examples: Radial integration, spot finding, pixel binning, …

• Auxiliary Data

Data that supports the understanding, validation, or analysis of the Experiment that has led to the generation of Raw Data, but has been collected or acquired outside of the same experimental framework.

Examples: Reference publications, previous measurements, sample descriptions, …

• Results

The interpreted outcomes derived from the analysis of the Raw, Processed, or Auxiliary Data, summarizing the findings, insights, or conclusions reached in the scientific investigation. 

Examples: Exported figures, electron density maps, crystal structures, …

• Computation Resources

The algorithms, software code, and computational environments employed to conduct research, process data, and derive results. These resources are fundamental for ensuring the reproducibility, transparency, and integrity of scientific investigations.

Examples: Jupyter Notebooks, processing Examples: Exported figures, electron density maps, crystal structures, …

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