msions.utils

This module contains utility functions that are useful for interacting with MS data.

Module Contents

Functions

bin_list(→ List[float])

Create a list of bin edges.

bin_data(→ pandas.DataFrame)

Bin a pandas DataFrame using list(s) of bin edges.
msions.utils.bin_list(start: float, end: float, bin_size: float, bin_mult: float = 1) → List[float][source]

Create a list of bin edges.

Parameters:

  • start (float) – The starting bin value.

  • end (float) – The ending bin value.

  • bin_size (float) – The size of the bins.

  • bin_mult (float) – A multiplier to adjust bin sizing.

Returns:

A list of bin edges.

Return type:

List[float]

Examples

>>> from msions.utils import bin_list
>>> mz_bin_size = 4
>>> mz_bin_mult = 1.0005
>>> mz_start = 399
>>> mz_end = 1005
>>> bin_mz_list = bin_list(mz_start, mz_end, mz_bin_size, mz_bin_mult)
msions.utils.bin_data(df: pandas.DataFrame, type: str, bin_rt_list: List[float] = None, bin_mz_list: List[float] = None) → pandas.DataFrame[source]

Bin a pandas DataFrame using list(s) of bin edges.

Parameters:

  • df (pd.DataFrame) – The pandas DataFrame of data.

  • type (str) – Type of binning (“rt”, “mz”, “both”).

  • bin_rt_list (List[float]) – List of retention time bin edges.

  • bin_mz_list (List[float]) – List of m/z bin edges.

Returns:

The binned pandas DataFrame.

Return type:

pd.DataFrame

Examples

>>> from msions.utils import bin_list
>>> from msions.utils import bin_data
>>> mz_bin_size = 4
>>> mz_bin_mult = 1.0005
>>> mz_start = 399
>>> mz_end = 1005
>>> bin_mz_list = bin_list(mz_start, mz_end, mz_bin_size, mz_bin_mult)
>>> bin_data(peak_df, type="mz", bin_mz_list=bin_mz_list)