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Herdis Schopka

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  1. I have a really basic question: How does SpecE8 calculate TDS? The value for TDS that I get from SpecE8 are consistently higher than the ones I get summing up the concentrations of input species (Na+, K+, Mg++, Ca++, Cl-, SO4--, HCO3-, SiO2(aq)), such that TDS_sum = 0.73 * TDS_spece8 + 63, R^2 = 0.94. Does anyone know what's going on? Thanks, Herdis
  2. Tom, thanks! I was away for a week and didn't see your answer until now. I won't have access to a computer running GWB until next week; I'll let you know if I have any further problems then. Thanks again, Herdis
  3. Hi Tom, I tried to do as you described above and it worked, but only for the last speciation that spece8 performed. I loaded the scatter data set I have and none of the data plotted when I picked "system parameters" - "Carbonate alkalinity". To sum up, I use a script to speciate multiple water samples at the same time. In the script is a command that reports the result of each speciation to an output file which I later use as input to activity diagrams and various plots in Gtplot. I believe that in order to plot the Piper plot correctly, I have to have a column of carbonate alkalinity, as c
  4. Tom, thanks again for your input. No. I should probably specify again what I am trying to do: First I run SpecE8 with around 100 samples. The results for each sample are "exported" to an output file with the command "report", see this clip from the script I attached to the original post: if {[report success]} { puts $out_id \ "[report TDS]\t[report Carbonate alkalinity]\t[report activity Ca++]\t[report activity Mg++]\t[report activity Na+]\t[report activity K+]\t[report activity Cl-]\t[report activity SO4--]\t[report activity HCO3-]\t[report activity CO3--]\t[report activity SiO2
  5. Tom, thanks for the quick reply. I'm not sure I understand what you are saying - what values exactly do I put into the column with header "Carbonate alkalinity"? The carbonate alkalinity value calculated by specE8 (as reported in the generic output file generated by SpecE8 after each sample and then overwritten by every subsequent speciation) is different from all the values I have in the input file and I cannot see a term for exporting the "Carbonate alkalinity" in the list of reportable results on page 258 of the GWB 7.0 reference manual. I did experiment with running the file I attached her
  6. Dear all, I am plotting multiple data points in Gtplot 7.0 and one of the plots I use is a Piper plot, which has the variable "HCO3 + CO3". I just read that I need to have a column for carbonate alkalinity (as CaCO3 in units of mg/kg) in the scatter data file for this variable to be plotted correctly. My question is, how can I tell SpecE8 7.0 to report this variable? My current script is attached, so is an example from my input file. My input data for the SpecE8 multiple speciations contain both pH and HCO3-. The HCO3- concentration is not measured directly, I calculated it as the balance
  7. Tom, Thank you so much! The script runs perfectly and I'm glad it was just a question of coding. I better sit down with that tcl manual now Best, Herdis
  8. Thassel, thanks for your help! I appreciate you taking the time to read my post and reply. So, I downloaded your input file and ran it with the slightly modified generic command script for spec8 and got a bunch of error messages. Most of them appear to be related to swapping, but I still got the ominous "Don't know keyword: T". I tried modifying the script so that swapping would take place but it didn't work, my guess is that I don't know scripting well enough to put the swap command in the right place. I did get it to work in the GUI, though, and the samples converged beautifully. Would
  9. Tom, Thanks for the quick reply. I've attached a sample input data file to run with any generic script in spec8. It'd be great if you could take a look for me! Best, Herdis Herdis_test_input_data.txt
  10. I have a large number of sample analyses from hot springs, each with a different temperature (from 25°C to 98°C). I'd like to use spec8 to calculate the speciation etc. of these waters but I haven't had any success including the temperature in the data file that the software reads. The header is a problem, none of the headers "T", "T©" (this is supposed to be T(^C) without the ^...) or "temperature" are recognized (I get error messages saying "Don't know keyword xxx". When I run the samples individually in the command window or the GUI they run just fine but it'd take me forever to run all t
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