Plot

Alt-P

 

Plot Menu

[2D plot][3D plot][Grid plot][profiles][active plots][multiblock plots][structure plots]

[plot app.][histogram app.][profile app.][plot3D app.][plotGrid app.]

 

This menu gives access to many commands that display graphical representations of the data in several ways.

2D plots Object or Variables two dimensional plots.
3D plots Object or Variables interactive three-dimensional plots.
Grid plots Representation of the real 3D space around the molecules, including field data or chemometric data represented as symbols or isocontours. The structures of one or many molecules can be represented together with the data.
profiles Variables plot, where the variables are plotted in sequential order in the horizontal axis
active plots Interactively linked couples of plots, one representing a 2D plot and the other a Grid plot. The User can interact with the mouse in the 2D plot and the results will be shown in both plots.
multiblock plots Plots devoted to the visualization of multiblock CPCA models. Including some specialized active plots.
structure plots Plots devoted to the visualization of COMBINE models. The results of PLS analysis is mapped on a chemical structure as a spectrum of colors.

 

Plot applications

All these commands start a plot application which opens a new window in the screen. Notice that the plots behave like independent applications. They will persist in the desktop until they are individually closed, even if the User exits from the GOLPE front-end.

You can find a detailed explanation of the commands and options inside these particular applications here:

plot 2D plots
histogram Histograms
profile Profiles
plot3D 3D plots
plotGrid Grid plots

 

Plot intercommunication

Even if the plots are independent applications, they can intercommunicate in such a way that the User input in one plot can be shown in other related plot. For example, the User can highlight some variables in a 2D PLS weights plot and these variables will appear highlighted in any related grid plot, thus showing the spatial position of these variables. The main types of plot intercommunication in GOLPE are the clipboard and the active plots.

The clipboard

It is used to transfer a User selection from a 2D variables plot (PCA loadings, PLS loadings or PLS weights) to a Grid plot. Every time the User selects variables in such 2D plots, the selection is written to a file called clipboard.clp in the currently active directory. Grid plots, by default, will detect automatically the presence of this file or any change in its contents and will highlight the corresponding variables. This behavior of the Grid plots can be modified in order to make the plot insensitive to the presence or changes in the clipboard file (refer to the plotGrid manual).

Active plots

Active plots are couples of intrinsically linked plots, generated using the command in the plot>>>active plots submenu. There are two kind of active plots: plain and differential.

In the plain plots, the User input is a click on the chemiometric space corresponding to a PCA or PLS scores plot. The application detects the position of the click, translates the coordinates to a couple of t1 and t2 values and send this information to the associated plotGrid plot. The grid plot then uses these values for representing either the pseudo-field (for PCA plots) or the pseudo-activity contribution (for PLS plots).

In the differential plots, the User input is a couple of clicks which define a vector in the chemiometric space of PCA or PLS scores. The application in this case detects the position of the point A and B, computes the T differences and transfers (tB1-tA1) and (tB2-tA2) to the plotGrid plot. The grid plot uses these values for representing either differences in the pseudo-fields (for PCA plots) or differences in the pseudo-activity contributions (for PLS plots) which simulates the corresponding differences between theoretical objects located in positions A and B in the scores space.