create_mixture_spectra

pyeem.augmentation.create_mixture_spectra(dataset, cal_df, conc_range, num_steps, scale='logarithmic')

Creates augmented mixture spectra by summing together augmented single source spectra. The number of augmented mixtures created is equal to the Cartesian product composed of…

Parameters

• dataset (pyeem.datasets.Dataset) – Your PyEEM dataset.

• cal_df (pandas.DataFrame) – Calibration information for your dataset returned from pyeem.preprocessing.calibration()

• conc_range (tuple of (int, float)) – The concentration range which the augmented spectra mixtures will occupy.

• num_steps (int) – The number of intervals within the concentration range.

• scale (str, optional) – Determines how the concentrations will be spaced along the given concentration range. Options are “linear” and “logarithmic”. Defaults to “logarithmic”.

Raises

• Exception – Raised if calibration sources are reported in different units.

• ValueError – Raised if the scale argument is a value other than linear” or “logarithmic”.

Returns

A table describing the augmented mixture spectra and their paths within the HDF5 store.

Return type

pandas.DataFrame