Module Overview

This module provides a class WatersData that extends the functionality of the HplcData class to handle Waters chromatography data files with .arw extension. It includes methods for loading, processing, and saving the data, as well as generating tags for the data files.

Class

WatersData

Class Initialization

WatersData(data_file_path: str = None) - Inherits from HplcData. - Initializes with a data file path and sets specific headers for the x-axis ('Time') and y-axis ('Absorbance'). - Sets TICKS_IN_MINUTE to 60, indicating the data's time resolution. - Loads and processes the raw data upon instantiation if the file path is valid.

Members

  • Inherits all members from HplcData.
  • Adds info_df and data_df as pandas DataFrames to store the information and data parts of the file, respectively.

Methods

load_processed_data_file(path: str = None, data_bytes: bytes = None)

Loads processed data from a file or bytes into info_df and data_df.

make_tag(tag: str = None, tags: List[str] = ['"样品名称"', '"采集日期"', '"通道"'], join_str: str = '_')

Generates a tag for the data file using specified information fields, joined by a string.

process_raw_data(args, *kwargs)

Processes the raw data by splitting lines and creating DataFrames for information and data.

get_abs_data(args, *kwargs)

Returns the processed data, either from existing data or by processing the raw data.

save_processed_data(path: str = None, args, *kwargs)

Saves the processed data to an Excel file with 'Info' and 'Data' sheets.

Exported Members

  • WatersData

Example Usage

The module includes an example usage in the __main__ block, which demonstrates the following: - Instantiating WatersData with and without a file path. - Saving processed data to a file. - Retrieving and printing the data tag. - Searching for peaks in the data with specified width and height thresholds. - Calculating and printing the area under the peaks. - Retrieving the area data for the peaks.

Notes

  • The parameter_checker decorator ensures the data file path is valid and ends with the .arw extension.
  • The make_tag method constructs a tag using specific information fields from the data file, which helps in identifying the data set.
  • The process_raw_data method is crucial for converting the raw data into structured DataFrames for further analysis.
  • The example usage provides a practical demonstration of how to work with WatersData for HPLC data processing and analysis.