ecdh - ElectroChemical Data Handling

edch provides easy solutions for simple handling of electrochemical data. Most emphasis is so far put on how to display the data using matplotlib.

Installation

ecdh is hosted on pypi, and can be installed via pip by: pip install ecdh

Usage:

run ecdh.

Command line arguments:

• init initializes a toml file with the name ecdh.toml. Any supported datafiles in the local directory will be added to it.
• run config.toml runs with the configuration set in config.toml

Example use:

ecdh
ecdh init
ecdh run config.toml

Features:

• Galvanostatic Cycling
  • Plot Charge/Discharge curves over cycle life
    • Range, specific or all cycles can be plotted in addition to trimming of the first x cycles.
  • Plot Capacity retention over cycle life
  • Plot dQ/dV
  • Plot data from any number of input files
• Cyclic Voltammetry

Supported Input filetypes:

• Biologic (.mpt)
• BatSmall (.txt)

Coming:

- Neware backup files (.xlsx)
- Neware export as general report (.csv)

Dependencies

Standard Packages:

• os
• sys
• datetime
• math
• inspect
• shutil

Custom Packages:

• Matplotlib
• Numpy
• Scipy
• Pandas
• toml

Examples

I have three datafiles from different equipment, but since they are all in the same folder, I can initiate a config file with the init command, and run it afterwords with run ecdh.toml.

The terminal looks like:

$ ecdh init
[INFO] Wrote example configuration to 'ecdh.toml' with 3
files found
$ ecdh run ecdh.toml 
[INFO] Reading file: 'Neware_commasep.csv'
[INFO] Reading file: 'Biologic-text.mpt'
[INFO] Active mass found in file to be: 1e-06g
[INFO] Datafile ended with a Discharge
[INFO] Reading file: 'batsmall_data.dat'

Which yields the following output:

If I now enter the ecdh.toml file and set dqdvplot = true, qcplot = false and remove the entry of the ugly files, The output is:

TODO list

• Enable specific cycles on a per-file basis
• Add Withaker-despiker smoothing algorithm to dQ/dV data
• Make dQ/dV and V/Q plot in the same figure if both are to be plotted
• Fix Neware general report .csv reader

Program structure

Flowchart

SubModules

readers

Functions:

• Read(): Takes a filepath and returns a dataframe with eventual metadata
  • Dataframe headers: ['mode', 'time/s', 'Ewe/V', '<I>/mA', 'cycle number']
• Internal functions:
  • BioLogic: read_MPT()
  • Neware: read_xlsx(), read_csv()
  • Batsmall: read_txt()

cell

Contains the Cell class with functions:

• get_data(): Runs readers.read(filename)
• edit_data(): Runs any of the internal functions according to the cfg.toml and what experiment type the file is.
• Internal functions:
  • _edit_cyclelife(): Edits data for easy cyclelife plotting
  • _edit_CV(): Edits data for easy cyclic voltammetry plotting
  • _edit_GC(): Edits data for easy galvanostatic cycling plotting
  • _edit_dQdV(): Edits data for easy dQdV plotting

plot

Contains the Plot class with functions:

• plot(): Takes list of cell objects as input parameter, reads the cfg.toml and plots it all according to that.