Hello,

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. 

Thanks!

Hi Adam,

The API has functionality for showing tick marks and will return the two theta value of the tick mark but, unfortunately, the code for labelling the ticks by hkl value isn't currently exposed in the API. I've just logged a feature request for this though, so hopefully it will be available in a future version.

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