Profile is not sampled for q = 0.0054794, q_max = 0.5 You can remove points with q > 0.5 from the experimental profile or recompute the profile with higher max_q
I'm slightly confused as 0.0054795 < 0.5, and also there are no values in my .dat file above 0.5. Finally, there doesn't seem to be a way to alter the max_q through the pmi module, would i have to go through the C++ ?