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Editor: damberger
Time: 2017/04/28 20:18:30 GMT+2 |
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Note: minor edit |
changed: - 14. You can display all peaks in the peaklist associated with the spectrum by selecting View-Show List. 14. You can display a list with all peaks in associated with the spectrum by selecting View-Show List or use the keyboard command "sl" to turn on/off the peaklist display added: The !PeakList serves as a navigator (to find a peak) and as an editor (to modify peak information). changed: - - Volume and amplitude (see BatchIntegration for more on aplitude/volume) - Volume and amplitude (see BatchIntegration for more on amplitude/volume) changed: - By right-clicking in the !PeakList navigator, and selecting "Show assignments" the coordinates can be replaced by the assignments if available (atomname and residue) By right-clicking in the !PeakList navigator, and selecting "Show assignments" the coordinates can be replaced by the assignments if available (atomname and residue).
Peaks and Peaklists are available in Cara to be compatible with other programs such as XEASY. They are also used for integration of peaks. Peaks and Peaklists can be used only with the Tool > Open Spectrum, MonoScope, HomoScope and PolyScope. Later we will learn about the more advanced feature of CARA called Peak inference which uses Spins, ResidueTypes and SpectrumTypes to infer the position of peaks. Now lets learn to work with peaks.
The PeakList serves as a navigator (to find a peak) and as an editor (to modify peak information).
You can navigate to a peak in the spectrum by double-clicking on the peak in the PeakList.
Conversely, you can click on a peak in the spectrum and highlight its entry in the PeakList with the keyboard command "sp" (show peak).
Each peak in the list has the following attributes:
By right-clicking in the PeakList navigator, and selecting "Show assignments" the coordinates can be replaced by the assignments if available (atomname and residue). Assignments of peaks can be modified by right-clicking a peak and selecting "Edit assignments". Each dimension of the peak can be associated with a spin in the SpinBase? by entering the SpinId.
You can add additional columns to the PeakList with user-defined Peak attributes. Look in the header of the LUA script HetNoe.lua for an example of how this is done.
Tools > Open Spectrum is for directly accessing data for simple operations or a quick check of data. However to integrate the information from multiple spectra and make use of the advanced features of CARA you will need to set up a Repository.
NEXT: The Repository
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