Inspect and modify spin systems and resonances

Instructions

There are various ways to inspect spin systems, peaks and resonances in Analysis. Here we briefly introduce some frequently used procedures for the topic.

Spin Systems

Spin systems can be inspected in the {Assignments} tab in the Resonance: Spin Systems popup (see picture below). Resonance: Spin Systems is accessible through M: Resonance: Spin Systems. Here, it is possible to 

perform several actions on selected spin systems, e.g.:

• • Spin systems can be assigned, deassigned, merged and deleted 

  • Peaks and resonances belonging to a spin system can be displayed by selecting the spin system and clicking [Show Peaks], or [Show Resonances], respectively

The [Show Peaks] button raises Peak: Selected Peaks (see picture below) which displays a list of all peaks with peak attributes, related to the actual spin system. To display peaks:

• • Select a window in the "Window:" pulldown menu

  • Select a peak and click [Find Peak] to navigate and place a marker at the peak position

The [Show Resonances] button raises Resonance: Selected Resonances (see picture below) which displays a list of all resonances with assignments, related to the actual spin system. It is here possible to:

• • Deassign and Assign resonances by selecting the resonance and clicking [Deassign] or [Assign] respectively

  • Merge resonances by selecting them and clicking [Merge]. All of the objects to which the resonances were connected (peaks etc.) will then become connected to the resulting, merged resonance. The chemical shift values associated with the merged resonances will be averaged if the shifts are in the same shift list

• Delete orphans by clicking [Delete Orphans] (Orphaned resonances are resonances that have no connection to any peak in the current shift list)

• Remove a resonance from the spin system by selecting the resonance and clicking [Remove From Spin System]

• Show all peaks that are associated with a resonances by selecting the resonance and clicking [Show All Peaks]. This raises the Peak: Selected Peaks popup in which the peaks can be treated as described above

Resonances

Another way to inspect resonances is to use the general Resonance: Resonances popup, which is accessible through M: Resonance: Resonances. Here, again it is possible to inspect and perform a series of actions on the resonances as described above, but now with an overview of all the resonances in the project: