> I add a fake "sigma" column for each "data" column because so many programs require one.
This is slightly tangential, but does anyone know of a good way to generate semi-realistic sigma values for calculated/simulated data? The best I've been able to do is borrow from an experimental dataset of the same protein (after scaling), but that doesn't work unless you've got an experimental dataset corresponding to your simulated one. I also tried a least-squares fit (following a reference I don't have in front of me...this was a while ago), which didn't result in a good fit for our data. Pete Pete Meyer Fu Lab BMCB grad student Cornell University