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Relax 2.2.0

29 bytes added, 18:52, 11 September 2014
Formatting of all symbols/parameters.
* Added the 'empty' flag to the [http://www.nmr-relax.com/manual/sequence_copy.html sequence.copy user function] to allow all the spin contents to be copied.
* Implemented the [http://www.nmr-relax.com/manual/pcs_structural_noise.html pcs.structural_noise user function]. This is used to determine the PCS error due to structural noise via simulation, and adds the error via variance addition to the experimental PCS error.
* The N-state model grid search optimises each tensor separately when only tensors are optimised. This massively collapses the grid search size from inc**(<sup>5*N) </sup> to N*inc**<sup>5</sup>, where inc are the number of increments per dimension and N is the number of alignments, making a grid search possible.
* Implemented the [http://www.nmr-relax.com/manual/rdc_set_errors.html rdc.set_errors] and [http://www.nmr-relax.com/manual/pcs_set_errors.html pcs.set_errors] user functions.
* Added Monte Carlo simulation support for the paramagnetic centre for PCSs in the N-state model.
* The N-state model _check_rdcs() method now skips deselected interatomic data containers. A FIXME comment has also been added to highlight a possible future problem.
* Added some consistency to the specific analysis API base class. The return_data() method argument has been changed from 'spin' to 'data_id', as the data from the base_data_loop() methods are often not spin containers.
* Made the chi2 &chi;<sup>2</sup> value check less stringent in the N_state_model.test_metal_pos_opt system test. For some bizarre reason, the calc() call in the GUI is less precise.
* The N_state_model.test_populations system test has been made less stringent to allow MS Windows to pass.
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