Bell Bell
Our friends working in the field of biopolymers can study a single molecules for months and can afford to spend a lot of time with their NMR spectra, if the time invested translates into higher accuracy of their results. Software makers are more interested in creating automatic tools that work without human intervention, day and night, because of the higher appeal of any push-button solution. Is anybody helping our friends? Yes! One month ago a simple and effective tool appeared for measuring the volume of a 2-D cross peak, courtesy of iNMR . Let's see, with a practical example, what it does and how it works. We start from the normal contour map. Here you click on a single peak and optionally enter two labels to assign it. In the picture we have selected the peak at the bottom right. Many things automatically happen, if you like: the program can locate the maximum of the peak and fit the overall shape with a gaussian bell. Why a Gaussian instead of a Lorentzian? As you know, 2-D sp...