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
Simply run from the command line:
python ciuGui.py
If you prefer, create a desktop shortcut to run the above command.
<Control>+O |
Open CIU Data files |
<Return> |
Update Graphs |
<Control>+S |
Save Processed CIU Data to file |
<Control>+E |
Export Image to file |
- 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. - You can then give each dataset a name and list the charge state—this software uses
$E_{lab}$ values. - (Optional) You can change the smoothing parameters and colormap (following
matplotlib
names) in use. - Select a collision energy to examine and
Update Graphs
—<Return>
keyboard shortcut.