ciuGUI—a simple tool for comparing two CIU datasets

Two .csv files with the standard CIU format are imported--these must contain the same number of rows and columns. The data can then be smoothed with either 1D area or intensity normalisation.

The data are displayed as a four-pane figure. The top two panes show the heat-maps for each data set in the selected colormap. The bottom-left pane shows the RMSD heat-map and the rolling RMSD (across the collision energies). The bottom-right pane shows the overlaid mobiligrams for a selected energy, the corresponding energy is also displayed as a line on the top panes.

This is a free and open-source software for the specific task of comparing CIU datasets. Other, more comprehensive, software is available such as CIUSuite, ORIGAMI and PULSAR.

Copyright (c) 2016-2020 Jedd Bellamy-Carter, University of Nottingham
Released under a GNU Public License

Usage

Simply run from the command line:

python ciuGui.py

If you prefer, create a desktop shortcut to run the above command.

Keyboard Shortcuts

<Control>+O	Open CIU Data files
<Return>	Update Graphs
<Control>+S	Save Processed CIU Data to file
<Control>+E	Export Image to file

Step-by-step

1. Once launched, you can select Open CIU Data to choose two CIU data sets, these must have the same dimensions otherwise they will not be plotted.
2. You can then give each dataset a name and list the charge state—this software uses $E_{lab}$ values.
3. (Optional) You can change the smoothing parameters and colormap (following matplotlib names) in use.
4. Select a collision energy to examine and Update Graphs—<Return> keyboard shortcut.

Thank You for using ciuGUI!