Jupyter Analysis

JupyterAnalysis

description: Section for analysis using Jupyter notebooks.

inherits from: nomad.datamodel.metainfo.basesections.v1.Analysis, nomad.datamodel.data.EntryData

properties:

name	type
method	str	A short consistent handle for the applied method. default=Generic
trigger_generate_notebook	bool	Generates a Jupyter notebook and connects it with notebook quantity. If the notebook already exists, the cells containing nomad-analysis-predefined tag will be reset. All other cells will be preserved.
trigger_reset_inputs	bool	Removes the existing references in inputs sub-section and creates new references based on the query_for_inputs quantity.
notebook	str	Generated Jupyter notebook file.
query_for_inputs	nomad.datamodel.data.Query	Search queries for connecting input entries to be used in the analysis. These queries are used to populates the inputs sub-section. shape=['*']

normalization:

Handles the behavior of trigger buttons (generate notebook, reset inputs) and normalizes the input references.

The normalize method orchestrates:

• generate_notebook: If triggered, generates a Jupyter notebook file. The write_predefined_cells method is used to write the pre-defined cells in the notebook.
• reset_inputs: If triggered, resets the existing input references and creates new references based on the query_for_inputs quantity.
• process_query_for_inputs: Processes the query_for_inputs quantity to get the list of input entries based on the queries.
• normalize_input_references: Combines existing inputs with query results, filters duplicates by m_proxy_value and lab_id, and updates the inputs.

XRDJupyterAnalysis

description: Section for XRD analysis using Jupyter notebooks.

inherits from: JupyterAnalysis, nomad.datamodel.data.EntryData

normalization:

Sets the method to XRD and normalizes the entry.