Creating NOESY peaklists with CARA

1. Run 'ExportToCSI' script to generate an input file for CSI
2. Run CSI program
3. Run the 'CreateShortSequentialSpinLinks' script to generate spin-links based on CSI prediction
4. Remove all unnecessary spins, such as draft assignments (e.g. '?HA'), projected spins (e.g. 'HA-1') and GFT pseudospins (e.g. 'CApCB'). Bulk remove is possible with scripts such as RemoveSins, RemoveProjectedSpins and RemoveGFTSpins.
5. Open an HSQC spectrum in PolyScope window with the corresponding NOESY spectrum loaded in the strip. In the 'Strip' menu make sure that the 'Show Spin Links' box is check, and the 'Show Inferred Peaks' is unchecked. Select 'File' -> 'Export...' -> 'Strip Peaks to MonoScope...' to create an initial peaklist with existing assignments.
6. Many predicted peaks may not be actually observed. Therefore, integrate the peak list first and then use the PeakListReport script to delete all peaks weaker than a certain threshold.

Automated peak picking

1. Define the peak linewidths in the peak model for the peak list of interest.
2. Set 'DeafultPeaklist' and 'PeakListToSpectrumMapping' attributes of the corresponding spectrum according to the peaklist.
3. Run the PickAll3DNOESY script to automatically pick peaks.
4. Run the 'PeakListReport' script to delete diagonal peaks.
5. Refine the resulting peaklist by interactivelly scanning all strips.