grid

deimos.grid.data2grid(features, dims=['mz', 'drift_time', 'retention_time'])

Converts data frame representation to a dense, N-dimensional grid.

Parameters:

• features (DataFrame) – Input feature coordinates and intensities.

• dims (str or list) – Dimension(s) to create the dense grid (omitted dimensions will be collapsed and summed accross).

Returns:

• edges (list of array) – Edges coordinates along each grid axis.

• grid (array) – Resulting N-dimensional grid.

deimos.grid.grid2df(edges, grid, dims=['mz', 'drift_time', 'retention_time'], additional=None)

Converts dense grid representation to a data frame.

Parameters:

• edges (list of array) – Edges coordinates along each grid axis.

• grid (array) – N-dimensional dense grid of intensities.

• dims (str or list) – Label(s) for each grid dimension.

• additional (dict or None) – Additional grids to process.

Returns:

Feature coordinates, intensities, and any other attributes from additional.

Return type:

DataFrame