Individual titrations¶
To import a single titration dataset into Calkulate, just import or convert your titration table to a pandas DataFrame and provide the row for the titration you want to work with (or the whole table if it only contains one row):
import calkulate as calk
titration = calk.Titration(titration_table.loc[row_index])
where row_index is the DataFrame's index for the row you want (usually just an integer running from 0 to the height of the table).
This imports the data from the titration data file and stores it in a Titration object along with the relevant information from the titration table.
Structure of a Titration¶
Top-level properties¶
Some properties are top-level attributes of the Titration.
Top-level titration properties
Some of these come directly from the titration table columns of the same name:
titration.file_name, titration.file_path
The remaining data are separated into several categories:
titration.analytefor properties of the analyte.titration.titrantfor properties of the titrant.titration.mixturefor properties of the titrant-analyte mixture.titration.settingsfor... settings.
The analyte¶
The attributes of titration.analyte are all single scalar values. At first, these include:
The titrant¶
Some attributes of titration.titrant are single scalar values (e.g. its molinity), while others are arrays (e.g. the amount of it added to the analyte).
The mixture¶
The attributes of titration.mixture are all arrays.