Splab-interface

General Design

Launching the stand-alone version of SpLab results in the appearance of two main windows - the chart window (on the left) and the main program control and data manipulation window (on the right). The instrument-specific versions also open the instrument control interface window (in the right lower corner of the screen). Below is a screenshot of the SpectraLab screen, which you will see after installing the program and launching it. Please note that, when launched, SpectraLab always loads the dataset saved at the end of the previous session. The dataset seen in this screenshot is a series of spectra of cytochrome P450 3A4 (CYP3A4) obtained in its titration with bromocryptine.

The chart window displays a plot of either the focused trace or an overlay of the plots of all traces selected for display (depending on the state of "Show multiple" checkbox in the control window). The main control splitter window contains three panes: the top pane is used for general control of the program, the left lower pane contains the list of all currently loaded data sets (individual spectra or kinetic traces) and the right lower pane displays a list of the datapairs (X and Y values) of the focused dataset.

The top pane of the main window (Splab-Controls pane) contains:

The main toolbar of the application

The commandline edit box with "Exec" button, which is used for executing user-defined commands formed with the use of the Forth-based scripting language (most of the available operations are also accessible through the menu-driven interface).

The "Axes" block used for editing the scaling, X- and Y-axes legends and the comment line for data plot shown in the Chart window. It also contains a "Replot" button and a "Show multiple [traces]" switch check-box.

The "Data set" block with the means for editing the header and display parameters of the focused data set

The "Data point" block with the means for editing the selected data pair in the focused data set (see below).

The left bottom pane of the main splitter window contains 132 lines corresponding to 132 slots for the individual datasets (traces) available in the program. Each line contains:

Number of the data set (1-132)

Indicator of trace selection for display and processing. Here the selected traces are marked with a » symbol. In addition, the focused trace (current position of trace selection cursor) is marked with a middle dot (·) mark.

A set-specific header (trace title or comment)

A set-specific "Z-value". This is the "third coordinate" value used in global data analysis. It corresponds to the parameter that changes during the experiment: time for a time-dependent series, temperature for temperature dependencies, concentration of titrant in spectral titrations, etc.

Number of data points in the trace (this field is empty for empty slots)

ON/OFF position of set-specific interpolation switch (for plot display)

ON/OFF position of set-specific line connection switch (for plot display)

Numeric code (0 -7) of the chart symbol (for plot display)

Numeric code (0 - 15) of the trace color (for plot display)

The values of these parameters and position of the switches for the focused trace can be modified through the "Data set" block in the control pane. Clicking on any line in the left pane results in selection of the respective dataset as a "focused trace". Selection of focused trace may be also achieved using a combination of "Shift" with the "up", "down", "page-up", "page-down", "home" and "end" keys of the keyboard.

The right bottom pane shows the data pairs (X,Y-pairs) of the focused dataset. This window also contains a column ("Y calc") for calculated (fitting) value of Y, which appears there after non-linear regression (data fitting) procedure. Clicking on any line of this pane results in positioning the data point cursor on the respective data pair. The X and Y values for this pair may be modified using the "Data point" block in the control pane. This control block may be also used for deleting the point and adding new data points to the trace.

Shortcut Keys:

Key combination

Effect

Alt-ADD (Alt-"+" key in the numeric keypad)

Summarize two traces (add a trace to the focused one)

Alt-SUBTRACT (Alt-"-" key in the numeric keypad)

Subtract a trace (from the focused one)

Alt-MULTIPLY (Alt-"*" key in the numeric keypad)

Multiply the focused trace by a constant

Alt-DIVIDE (Alt-"/" key in the numeric keypad)

Divide the focused trace by a constant

Shift-DOWN

Shift focus down (in the list of traces)

Shift-UP

Shift Focus up (in the list of traces)

Shift-HOME

Focus on the first trace

Shift-END

Focus on the last (#132) trace

Shift-PageDown

Shift focus 8 traces down

Shift-PageUp

Shift focus 8 traces up

INSERT

Toggle trace selection and shift down

Alt-RETURN

Accept all changes (trace,point,comment)

RETURN ("Enter" key )

Execute command line(= EXEC button)

Ctrl-DownArrow

Move cursor one point right

Ctrl-UpArrow

Move cursor one point left

Ctrl-Home

Move cursor to the first point

Ctrl-End

Move cursor to the last point

Ctrl-PageDown

Move cursor 8 points right

Ctrl-PageUp

Move cursor 8 points left

Ctrl-Return (Ctrl-"Enter")

Accept changes to the data point (or add a new point)

Ctrl-ADD (Ctrl-"+" key in the numeric keypad)

Add a constant to the current trace

Ctrl-SUBTRACT (Ctrl-"-" key in the numeric keypad)

Subtract a constant from the current trace

Ctrl-MULTIPLY (Ctrl-"*" key in the numeric keypad)

Multiply the current trace by a constant

Ctrl-INSERT

Add a new data point

Ctrl-DELETE

Delete data point

Shift-RETURN

Accept changes to the trace parameters

Shift-ADD

(Re)plot all selected traces

Shift-SUBTRACT

(Re)plot the focused trace only

Shift-DELETE

Delete the focused trace (with warning)

Alt-INSERT

Toggle selection of the current trace

Alt-Y

Delete the current trace (no warning)

Alt-S

Invoke recursive subtraction (SUB) script

SpectraLab User Interface

General Design

Shortcut Keys: