CalibrationRecord Class Documentation

CalibrationRecord is a Pydantic model designed to serve as a detailed log for tracking the inputs, parameters, and outcomes associated with a specific calibration effort. This class methodically compiles a comprehensive set of data elements crucial for the calibration process, including run numbers, crystallographic information, calibration parameters, and related workspace details. By encapsulating this information, CalibrationRecord provides a structured approach to documenting the calibration process, facilitating analysis, replication, and quality assessment of calibrations over time.

Attributes:

• runNumber (str): Identifies the specific run or dataset that the calibration pertains to, serving as a key reference point for the calibration record.

• crystalInfo (CrystallographicInfo): Contains detailed crystallographic information relevant to the calibration process.

• calibrationFittingIngredients (Calibration): Captures the set of calibration parameters used in the calibration fitting process, providing a snapshot of the calibration configuration for analysis and replication.

• pixelGroups (Optional[List[PixelGroup]]): A list of PixelGroup objects representing the pixel groupings used in the calibration. While currently optional, future updates intend to make this attribute mandatory to ensure comprehensive documentation of calibration inputs.

• focusGroupCalibrationMetrics (FocusGroupMetric): Includes metrics from FocusGroupMetric to evaluate the quality and effectiveness of the calibration across different focus groups, supporting quality assessment and improvement efforts.

• workspaces (Dict[WorkspaceType, List[WorkspaceName]]): Organizes Mantid workspace names associated with the calibration by their type, facilitating easy access and management of related workspace data.

• version (Optional[int]): An optional attribute to track the versioning of the calibration record, allowing for the historical analysis of calibration evolution and improvements over time.