I am using CSD - Enterprise.
In Mercury I am able to see which Miller index corresponds to which peak in the simulated powder pattern. Is there a similar functionality through the API? I have been able to simulate the powder pattern with a Python script, as well as pull out a, b, c, alpha, beta, gamma, and the crystal system. I was wondering if the Powder Pattern class (if that's the proper terminology) has the Miller indices stored somewhere already? I know I can calculate them using Bragg's Law and the interplanar spacing equations for the different systems, but I would prefer to avoid that if they are already calculated somewhere. Simply doing a search for "Miller" in the documentation did not return any results, so I thought I would try asking in here. I also skimmed over the titles of the threads here and did not see any similar topic.