CalibrationAssessmentRequest Class Documentation

CalibrationAssessmentRequest is a Pydantic model designed to facilitate the initiation and execution of calibration assessments for specific runs in scientific analysis. By incorporating essential details such as run configurations, workspace mappings, focus group specifications, and operational parameters, this class streamlines the calibration assessment process.

Attributes:

  • run (RunConfig): Specifies the configuration for the run being assessed, including details such as run number and instrument settings. This configuration is vital for tailoring the assessment to the specific characteristics of the run.

  • workspaces (Dict[WorkspaceType, List[WorkspaceName]]): Maps various workspace types to their corresponding workspace names, providing a structured analytical context for the assessment. This mapping is crucial for organizing and accessing the data required for calibration analysis.

  • focusGroup (FocusGroup): Identifies the focus group for targeted assessment, enabling a focused analysis on specific segments or aspects of the data. This specification enhances the relevance and precision of the calibration assessment.

  • calibrantSamplePath (str): Points to the path of the sample data, usually a CIF file, that provides the standard crystallographic data for comparison. This path is essential for basing the calibration assessment on accurate and standardized reference data.

  • useLiteMode (bool): Indicates whether the assessment should operate in a lite mode, optimizing for reduced resource consumption and faster execution. This mode is suitable for preliminary assessments or scenarios where resource constraints are a consideration.

  • nBinsAcrossPeakWidth (int, default=Config[“calibration.diffraction.nBinsAcrossPeakWidth”]): Specifies the number of bins to distribute across the width of a peak in the diffraction pattern, as defined in the system configurations. This parameter affects the resolution and granularity of the peak analysis.

  • peakFunction (ALLOWED_PEAK_TYPES, default=”Gaussian”): Defines the type of peak model to be used in the assessment, with a default set to Gaussian. The choice of peak type influences the modeling and analysis of peak data, impacting the assessment outcomes.