Running the program causes an error to pop up.

Question

I'm using the HypNMR2008 program for my masters thesis and I've run into a snag. I'm trying to optimize log Beta for a titration experiment (obviously) and I constantly run into the same error message : "Refinement terminated: normal equations matrix not positive definite". Is there any particular way I can solve or avoid this problem?

Answer 1

The error that you encounter is caused by the fact that you have 0 or negative values in the equation matrix (one of the results is either negative or 0). This is determined by the data inputted by you. Before you continue with your project, you should double check the inputed values. Also, it might be a good idea to contact the developer using its official website to obtain further support in this matter.