/MChroma

A software for post-processing chromatograms

Primary LanguagePythonMIT LicenseMIT

M|Chroma

An open-source software for the analysis of chromatograms.

Getting Started

Installation

Either clone the repository or download the .zip file and extract.

Requirements

You will need to install Python >=3.8.0 to use this software. MChroma is not compatible with Python 3.7, which does not support an extended Unicode charset. M|Chroma is developed with Python 3.8.8, so that is the safest version to use. Download Python 3.8.8 from: https://www.python.org/downloads/.

Once Python is installed, run requirements.py to install the required packages.

Running the Program

Start the software by running mchroma.py. Tutorial coming soon!

Current Features

Implemented Features

  • Peak picking (from bounding points or from single point in peak)
  • Automatic calculation of retention time, theoretical plate count, peak width peak area, and more
  • Baseline correction
  • Peak summary table exporting to .csv file
  • Signal scaling

Unimplemented/In-development Features

For a more detailed description of planned features, check out agenda.txt.

  • Modified area calculations (base-valley, valley-base, and valley-valley)
  • Time scale shifting/peak referencing
  • Normalization
  • Automatic peak picking by threshold

Challenges, Bugs, and Other Complications

  • Currently, this program only supports .asc files exported from Shimadzu CLASS-VP analysis software.
  • Peak summary table is cut off. This can be manually fixed to some extent by adjusting the "bottom" parameter in the "Configure subplots" context of the plot menu.
  • Edit>Undo/Redo feature is very buggy