The following are reference development notes for how to modify relax to handle multi-quantum (MQ) data. Currently relax supports single-quantum (SQ) data but not MQ data. There are three aspects to this problem, detailed below. Note that the changes for part 2) will likely break the code of the relax_disp branch for a short time. 1) The MQ models. Firstly the specific MQ model(s) must be added to relax (following the steps at http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax). This part is relatively trivial, especially if the code already exists, a published reference exists, and equations can be copied from a paper directly into the relax manual. For example the 'MQ CR72' model supported by GUARDD (http://dx.doi.org/10.1021/ja049968b). 2) Infrastructure changes. There is one infrastructure change required to support this. The reason is because most people with MQ data will want to analyse it simultaneously with SQ data (well, that is my guess from the literature data). Support for optimising both SQ and MQ data simultaneously needs to be added. Currently relax only handles one type of dispersion data per data pipe. This should not be too hard to change. Such a change could allow CPMG-type and R1rho-type data to be analysed simultaneously as well. In each individual data combination case, a specific combined model such as 'SQ+MQ CR72' would need to be created. This model would be independent of the 'CR72' and 'MQ CR72' models, and the user will have to explicitly select it. The only change from the perspective of the user would the relax_disp.exp_type user function. This user function currently sets the experiment type for all data in the current data pipe. This needs to be changed to be similar to the relax_disp.cpmg_frq, relax_disp.relax_time, relax_disp.spin_lock_field, etc user functions, where the experiment type is associated with a spectrum ID. The GUI would be changed so that this user function is not presented when setting up a new analysis, but rather when the peak lists are being loaded. The GUI element displaying the experiment type would need to be removed and the data presented in the peak list GUI element instead. The backend changes would be more extensive. The following generator functions would need to be added to specific_analyses.relax_disp.disp_data: loop_exp() - for new usages. loop_exp_frq() - to replace calls to loop_frq(). loop_exp_frq_point() - to replace calls to loop_frq_point(). loop_exp_frq_point_time() - to replace calls to loop_frq_point_time(). The the code in specific_analyses.relax_disp and target_functions.relax_disp need to be modified around this new concept. I.e. a new top level looping needs to be inserted. The looping hierarchy from highest level to lowest would become: experiment type, magnetic field strength, dispersion point (CPMG frequency or spin-lock field strength), and finally relaxation time. The only difference to now is the highest level experiment type looping. The cdp.exp_type data structure will need to be converted into a dictionary where the keys are the spectrum IDs. 3) Test data. More of an issue is data! Test data is essential to be sure that the code is functional. And in relax it needs to be incorporated into a system test. The most important point is that the data needs to be independent of relax - the same code for fitting cannot be used to generate synthetic data. The more independence between relax and this test data, the better. Literature data for MQ data appears not to be available. It looks like corresponding authors would need to be emailed for access to the base data and numerical results. An alternative is provided by the Matlab software GUARDD. It has a module for simulating dispersion data (http://code.google.com/p/guardd/#Optimization_and_education_with_RD_Simulator). This could be used to generate the test data to be included with relax. Some test data is also provided by the program. This could also be used, but it suffers from the fact that the real parameter values are not known. But it can be used to directly compare relax and GUARDD. Regards, Edawrd