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export_utils.py

Functions

is_pure_element

def is_pure_element(mass_fraction)

Check if mass fraction indicates a pure element (effectively 1.0).

Args:

  • mass_fraction (float): Mass fraction value

Returns:

  • bool: True if pure element, False otherwise

get_molecular_weight_for_export

def get_molecular_weight_for_export(main_window, element_key, sample_name = None)

Get molecular weight for export calculations.

Args:

  • main_window (object): Main window object
  • element_key (str): Element key in format 'Element-Isotope'
  • sample_name (str, optional): Sample name

Returns:

  • float | None: Molecular weight or None if not found

export_data

def export_data(main_window)

Export all sample data and summary file in one unified process with mass fraction, mole support, dilution factors, and data type selection.

Args:

  • main_window (object): Main window object

Returns:

  • bool: True if export successful, False otherwise

export_mass_fraction_info

def export_mass_fraction_info(main_window, file_handle, selected_samples, data_type)

Export mass fraction configuration information with data type and molecular weights.

Args:

  • main_window (object): Main window object
  • file_handle (file): Open file handle for writing
  • selected_samples (list): List of selected sample names
  • data_type (str): Data type ('element' or 'particle')

Returns:

  • None

export_summary_file_with_mass_fractions

def export_summary_file_with_mass_fractions(main_window, summary_file, selected_samples, all_elements, element_labels, sample_dilutions, data_type, units = None)

Export summary file with mixed element/particle calculations based on mass fractions and molecular weights.

Args:

  • main_window (object): Main window object
  • summary_file (file): Open file handle for writing
  • selected_samples (list): List of selected sample names
  • all_elements (list): List of tuples containing element data
  • element_labels (list): List of formatted element labels
  • sample_dilutions (dict): Dictionary of sample dilution factors
  • data_type (str): Data type ('element' or 'particle')
  • units (ExportUnits | None): Unit preferences. If None, uses defaults (fg/fmol/nm).

Returns:

  • None

export_sample_file_with_mass_fractions

def export_sample_file_with_mass_fractions(main_window, sample_name, file_path, all_elements, ionic_data, threshold_data, dilution_factor, data_type, units = None)

Export individual sample file with mixed element/particle calculations based on mass fractions and molecular weights.

Args:

  • main_window (object): Main window object
  • sample_name (str): Sample name
  • file_path (str): Output file path
  • all_elements (list): List of tuples containing element data
  • ionic_data (dict): Ionic calibration data
  • threshold_data (dict): Threshold data
  • dilution_factor (float): Dilution factor
  • data_type (str): Data type ('element' or 'particle')
  • units (ExportUnits | None): Unit preferences. If None, uses defaults (fg/fmol/nm).

Returns:

  • None