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aggregate [2019/10/04 18:23] adminaggregate [2019/10/04 18:25] (current) – fixed back link admin
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 ===== On the Coding of the Aggregate Spin Number ===== ===== On the Coding of the Aggregate Spin Number =====
 +back to [[general#format_of_quantum_numbers|Documentaion for SPFIT and SPCAT]]
  
 The **aggregate spin number** is used in the **SPFIT** and **SPCAT** programs whenver more than six quantum numbers are needed to descibe a state – even if some of the quantum numbers are redundant. It can be decoded using information provided in the **.fit** file or the **.out** file after the list of parameters in both cases. The NH<sub>2</sub> example is used, in which //S// = 1/2, //I//<sub>N</sub> = 1, and //I//<sub>H</sub> = 1/2 for both H nuclei and **N** + **S** = **J**; **J** + **I**<sub>N</sub> = **F**<sub>1</sub>; **I**<sub>H1</sub> + **I**<sub>H2</sub> = **I**<sub>tot</sub>; and **F**<sub>1</sub> + **I**<sub>tot</sub> = **F**. The **aggregate spin number** is used in the **SPFIT** and **SPCAT** programs whenver more than six quantum numbers are needed to descibe a state – even if some of the quantum numbers are redundant. It can be decoded using information provided in the **.fit** file or the **.out** file after the list of parameters in both cases. The NH<sub>2</sub> example is used, in which //S// = 1/2, //I//<sub>N</sub> = 1, and //I//<sub>H</sub> = 1/2 for both H nuclei and **N** + **S** = **J**; **J** + **I**<sub>N</sub> = **F**<sub>1</sub>; **I**<sub>H1</sub> + **I**<sub>H2</sub> = **I**<sub>tot</sub>; and **F**<sub>1</sub> + **I**<sub>tot</sub> = **F**.
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 //N// = 6, //N// = 6.5, //F//<sub>1</sub> = 7.5, //I//<sub>tot</sub> = 0.0, and //F// = 7.5. //N// = 6, //N// = 6.5, //F//<sub>1</sub> = 7.5, //I//<sub>tot</sub> = 0.0, and //F// = 7.5.
  
-back to [[general|Documentaion for SPFIT and SPCAT]]+back to [[general#format_of_quantum_numbers|Documentaion for SPFIT and SPCAT]]
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