Class ParamQuantEstimation

pyxrf/core/quant_analysis.py:684–1123

r""" The class is used for measurement of parameters in the process of estimation of quantitative calibration data. The methods of the class are designed to be used in the followingsequence: # Create object pqe = ParamQuantEstimation() # Load standards pqe.load_standard

class ParamQuantEstimation:
    r"""
    The class is used for measurement of parameters in the process of estimation of
    quantitative calibration data.

    The methods of the class are designed to be used in the followingsequence:

    # Create object
    pqe = ParamQuantEstimation()
    # Load standards
    pqe.load_standards()
    # Find standard if needed (different options are available)
    st = pqe.find_standard(serial_number, key="serial")
    # Select standard
    pqe.set_selected_standard(st)

    # Generate data dictionary
    pqe.gen_fluorescence_data_dict(incident_energy=12.0)
    # Fill the dictionary using XRF map dictionary (e.g. ``img_dict``) and scaler name (e.g. ``i0``)
    pqe.fill_fluorescence_data_dict(xrf_map_dict=img_dict, scaler_name="i0")
    # Set different (optional but desired) parameters
    pqe.set_detector_channel_in_data_dict(detector_channel="sum")
    pqe.set_optional_parameters(scan_id=12345, scan_uid="some-uid-string")

    # Get preview (if needed) for displaying to users
    preview_str = pqe.get_fluorescence_data_dict_text_preview()

    # Get suggested file name for the parameter file
    fln = pqe.get_suggested_json_fln()
    # Generate full path based on fln
    file_path = .....
    # Save data to file
    pqe.save_fluorescence_data_dict(file_path=file_path)

    At any time, the generated/filled fluorescence data dictionary may be
    accessed as ``self.fluorescence_data_dict``.
    """

    def __init__(self, *, home_dir="~", config_dir=".pyxrf", standards_fln="quantitative_standards.yaml"):
        r"""
        Constructor of the ``ParamQuantEstiomation`` class. In addition to initalization
        of the fields, the constructor checks if the default file with user-defined
        reference standards exists in the PyXRF config directory and creates an empty file
        if it does not exist.

        Parameters
        ----------

        home_dir: str
            HOME directory for PyXRF configuration files. Typically it is ``~``,
            but may be changed to temporary directory to run unit tests

        config_dir: str
            subdirectory in the HOME directory, used to keep PyXRF config files.
            Typical value is ``.pyxrf``.

        standards_fln: str
            name of the file for storing the data on user-defined reference standards.