Home‎ > ‎Documentation‎ > ‎CCPN Deposition‎ > ‎ECI sub pages‎ > ‎


On this tab, you can add chemical shift referencing information and examine chemical shift outliers in your data.  It is possible to add references that are internal or external using the buttons at the bottom of the frame or to remove incorrect references.  You can edit information such as the isotope (and corresponding atom) being referenced, the compound used and the reference value and unit.  It is also possible to toggle each reference to be direct or indirect.  For the external references, it is also possible to edit additional information about the sample geometry, location and axis used.

In the bottom frame, you can see chemical shifts in each shift list that are a long way from a BMRB mean value of shifts derived from a database of chemical shifts from known structures in the PDB as well as random coil chemical shifts (Tim - context info used here?, also colours related to a probability, where is this prob derived from?).  The colours used are red for very distant chemical shifts and pink for moderate outlier shifts.

The Shifts tab.
You can add chemical shift reference information in the top frame and in the bottom frame you can check any chemical shift outliers in your shift lists.