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React pH output


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Is there a way, using GSS/React, to add a reactant to every sample in a GSS spreadsheet and have the resultant pH output in a separate column of the spreadsheet? Or, alternatively, is there a way to extract only the final pH from a React output file? I need to perform thousands of calculations, so it isn't practical to go into every file and copy and paste the final pH into a spreadsheet.

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I can think of two ways to do this. The first is to prepare a control script to read data from a tab-delimited text file, perform your analyses with React, then pull selected results from React back into the text file. Appedix G (Multiple Analyses) in the GWB Reference Manual includes an example of this using SpecE8. You would use React instead and include a command like "react 5 moles HCl" or whatever reactant you're adding to each sample. To get your data from GSS into a tab-delimited text file, just go to File - Save As and select Text (tab delimited). For more on control scripts, see Appendix F (Control Scipts).


Another idea would be to launch React from GSS for all of your samples at once. You can insert a trailer command like "react 5 moles HCl" that will be appended to the input prepared for React for each sample. You would then need to write a script of some sort that would search for pH in each output file. For more info, see section 3.5 in the GWB Essentials Guide.


Hope this helps,


Brian Farrell

Aqueous Solutions LLC

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