Nuc isotope ratio error

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EricWalter
User
Posts: 13
Joined: Mon Dec 28, 2015 3:49 pm

Nuc isotope ratio error

Post by EricWalter »

I'm try to simulate hyscore with Ba and Sn, and it keeps giving me an error when I try to give it isotopes, so I went to the "spin system" section of the documentation and cut out the example:
Sys.Nucs = '63Cu,(32,33)S'; % 63Cu with enriched 33S
Sys.Abund = {1,[0.1,0.9]]; % 100% 63Cu, 10% 32S and 90% 33S

And even it gives the same error as my script:
Error using nucdata
Problem in isotopes list, entry 3 ('33)S'): Please specify one of 32S, 33S, 34S, 36S.

Error in validatespinsys

Error in saffron
What is the correct syntax? Maybe it has changed for version 6.

Williamnbell
Newbie
Posts: 1
Joined: Fri Mar 31, 2023 12:39 am

Re: Nuc isotope ratio error

Post by Williamnbell »

Helpful! Thanks for providing these tips.

Stefan Stoll
EasySpin Creator
Posts: 1050
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Nuc isotope ratio error

Post by Stefan Stoll »

saffron does currently not support isotope mixtures. If you have such a situation, call saffron separately for each isotopolgue combination. The function isotopologues should be useful for this.

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