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''Newton-Raphson didn't converge after 999 iterations'' Problem


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Hello, when i try to analyse my samples i have an error ''Newton-Raphson didn't converge after 999 iterations...'' on 1 and 2 samples. For example when i try to calculate water type with SpecE8 I have same error for 1 and 2 samples, but 3 allright, its Sr-OH water in result. I have same errors in 1 and 2 samples when I try to calculate something else with SpecE8. Maby it problem with my data, or with calculation properties? I'll be very grateful for your help.

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Hello,

GSS can use SpecE8 to calculate various secondary values based on the data provided in the spreadsheet. The program solves the problem with a numerical scheme that does not tolerate zero masses well. This is probably the issue with the two samples that failed. You can set the program to treat 0 value entries as no data. To enable this got to Analysis -> Options. You can also just remove the 0 value from the datasheet. For more information on calculation with SpecE8, you can refer to section 3.3 in the GWB Essentials User Guide. 

You can also investigate issues with a specific sample by launching a SpecE8 instant from GSS. Please see section 3.5 Launching SpecE8 and React in the GWB Essentials User Guide. 

Hope this helps,
Jia Wang
Aqueous Solutions LLC

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