In the Table of Chemical Shifts in both the ACD/HNMR and ACD/CNMR there is a column on the far right that is labelled Confidence Limits. How do the programs generate these error margins?
Briefly, this delta error reflects the maximum deviation between the chemical shift value used to compose final spectrum and the experimental chemical shift from the internal database for the fragment that was similar to the corresponding fragment in your structure. If there is no error indicated (i.e. just three dashes) then this fragment has an exact match in the internal database of the program.
Related Questions
- In the Table of Chemical Shifts in both the ACD/HNMR and ACD/CNMR there is a column on the far right that is labelled Confidence Limits. How do the programs generate these error margins?
- How come there is a drop-down menu that allows me to specify a particular solvent for calculations in ACD/CNMR but not in ACD/HNMR?
- What is the meaning of the item "ALL" in the notation column of the topic table?
