Changes

* Fix for bug #21561, the structure.create_diff_tensor_pdb user function failure with no simulations. Bug #21561 (https://gna.org/bugs/?21561) was reported by Martin Ballaschk (https://gna.org/users/mab). The problem was that the simulation axes of the tensor PDB file were not being initialised correctly when no Monte Carlo simulations had been run.

* Fix for bug #21562, the failure of the NOE analysis when spectra are replicated. This bug (https://gna.org/bugs/?21562) was reported by Dhanas Muthu (https://gna.org/users/dhanas). The problem was that the NOE overfit_deselect() method was deselecting all spins which do not have exactly 2 intensity values. This is incompatible with replicated spectra as the number will be greater than two. The check has been modified to deselect spins only when the number of intensity values are zero or one.