Corrspecgui

Correlation Spectroscopy Interface

Corrspecgui is the interactive version of corrspec. The principles of correlation spectroscopy are shown in the demo of corrspec, in the manual in the chapter 'Tutorial for the correlation spectroscopy function corrspec' and for in depth information: W. Windig, D.E. Margevich, W.P. McKenna, A novel tool for two-dimensional (2D) correlation spectroscopy, Chemometrics and Intelligent Laboratory Systems, 28, 1995, 108-128.

Below, the buttons and menus of corrspecgui will be discussed. The names of the buttons will be displayed by placing the cursor on top of them. Toggle settings display: turns the settings, displayed on the right, on or off. Set pure variable: the components defined by the pure variables, indicated by the cross-hair cursor, are eliminated. Reset last variable: undoes the action of the previous 'Set pure variable'. Cursor: enables manual change of cursor position, indicating the pure variables. Move cursor to max: moves the cursor to the maximum in the matrix defined by the setting 'Max Algorithm'. Plot At Cursor: Plots the data at the cursor position in the follow forms: a) Cursor Variable Plots, a plot of the (pure) variable of the X data set, the (pure) variable of the Y data set, both as a function of axisscale{1} and a plot of both variables, as a visual tool to judge the correlation between these two variables. b) Cursor Spectrum Plots: a plot of the spectra in the displayed map. Inactivate: Areas that should not be used for pure variables can be activated, after which these areas are excluded when the cursor is moved (by the program of the 'Move cursor to max' button). After clicking one of these buttons the mouse is used to indicate the area to be inactivated. The different inactivate options define wheter only the x or y data are inactivated, or both x and y. Reactivate last selection: Reactivation of the previous inactivated area. Plot map in 3D: a 3D presentation of the map. Works best with the 'Plot Settings' 'False Color' on. The button toggles between 3D on and off. Resolve spectra: resolves the data using the pure variables. The resolved results are displayed in the following form: a)X Spec, X Con, Y spec, Y con, with the resolved spectra and contributions for both X and Y data. b)X vs Y Con, which shows the resolved X contributions versus the resolved Y contributions, as a tool to judge the correlations between the variables. c) Maps: the resolved correlation maps. d) Diagnostics: the original dispersion matrix, the dispersion matrix reconstructed from the resolved components, the sum of the maps shown under the tab 'Maps' and an overlay of these maps, each in a different color. Clicking on any of the plots will display it enlarged under 'Current plot'.