Fig. 5: Analysis of 3D HNCA of αB-crystallin using UnidecNMR and representative examples of errors obtained using the various algorithms.

a After processing, the slice for each peak can be selected to inspect the peak picks and to compare the raw data to the back-calculated spectrum. The location of the slice in the 3D is indicated, with respect to the overall projections. b Representative errors from the various peak pickers^10,11,12,21. (i) In a 3D HNCA spectrum, three highly overlapped resonances can be seen. UnidecNMR could identify this while the other algorithms failed. (ii) In a 3D HNCA, the overlap between these two weak peaks is suggested by the asymmetry. Only UnidecNMR correctly identified the underlying resonances. (iii) WaVPeak¹¹ and PICKY¹⁰ were unable to pick relatively weak resonances defined by relatively few data points, as exemplified by this HNCA.