Spectrum View Functions

The basic spectrum view functionality is also available here, but some additional information is provided in IR/RAMAN Spectrum Interpretation as described below:

The spectrum view of a typical IR or RAMAN spectrum interpretation result looks like this:

The spectrum view supports all functions of a default spectrum view. Besides the spectrum curve, some more information is available in the spectrum view:

Peaks

All identified peaks considered in spectrum interpretation are indicated by vertical red lines from the peak maximum/minimum to the baseline. These lines are not shown by default, but they can be either activated or deactivated using one of the following ways:

Show Identified Peaks Context Menu Command

1. In the spectrum view, click the Right Mouse button.

2. From the context menu, check Show Identified Peaks.

Show Identified Peaks  Menu Command

1. From the IR/RAMAN Interpretation menu, check Show Identified Peaks.

Peak Area

The peak area of identified peaks of the current active functional group is filled light green to emphasize position in the spectrum. Green color means, the peak is a positive match in spectrum interpretation.

The tool tip help shows information on bands... Whenever the mouse pointer resides over a peak area of a functional group, a tool tip help is shown with detailed IR or RAMAN band information. This information is also available in the identified chemical classification rule table.

Coloring of Interpretation Rules

Colored rectangles outside the identified peaks in the spectrum have different meaning. From spectrum interpretation rules, IR or RAMAN bands are defined as expected spectral regions. They possess a particular spectral range and an expected intensity. These parameters span a rectangle in the spectrum view indicating the expected peak position.

Passed Interpretation Rules

Positive matches will produce green rectangles. This means, there is no peak in a specified region of the spectrum, because the region is excluded and no peak was expected there (excluded region).

Failed Interpretation Rules

Red colored regions indicate regions where a peak was expected, but none was found during analysis. The other way around, if a peak is found in an excluded region, where none is expected, it will be also red colored.

Browsing Frequencies and Proposal of Functional Groups

To enter the Functional Group Browser follow the steps below. For details on this feature, please refer to the chapter "Functional Group Browser".

1. Move the mouse pointer close to the peak of interest in the spectrum area.

2. Click the Right mouse button inside the spectrum view to pop-up the context menu.

3. From the context menu, select the menu entry Show Functional Groups at...

The Functional Group Browser opens and shows a list of best matching functional groups at the selected peak.

Functional Group Molecule

A molecular representation of the functional group is shown in the spectrum area. The functional group item can be selected, resized and moved around inside the spectrum view. For details, please refer to the chapter "Molecule and Functional Group View".