awebb Posted June 2, 2015 Share Posted June 2, 2015 I noticed a problem today with one of my speciation diagrams. The diagram script is > # Tact script, saved Tue Jun 02 2015 by Alex > data = "C:\Users\Alex\Dropbox\PostDoc\GWB\MY DATABASES\thermo.dspeq06_au_new7.dat" verify > diagram Au+ > log activity main = -8 > pH = 6 > log activity SO4-- = -3 > swap SO4--/H2S(aq) for O2(aq) > diagram x = SO4--/H2S(aq) > speciate SO4-- > x-axis from -10 to 5 increment 2 > y-axis from 0 to 400 increment 50 > mosaic_labels > line labels size = 23 Tact > and looks like this (by the way I know this is "correct" because it looks very similar to a published diagram). But if I change the x-axis range from -10 to 4, to -10 to 0, it looks like this: Which is clearly not simply a more restricted range of the first diagram. So it seems changing the scale range is doing something other than what I thought it would. Is it a bug or do I just not understand what is happening here? Cheers Alex Quote Link to comment Share on other sites More sharing options...
awebb Posted June 2, 2015 Author Share Posted June 2, 2015 Oh, I think SO4 isn't being speciated in the latter diagram. The blue speciation labels are missing for a start. Also, if I put in the range -10 to 0.01 instead, the diagram works as intended: Quote Link to comment Share on other sites More sharing options...
Brian Farrell Posted June 2, 2015 Share Posted June 2, 2015 Hi Alex, Would you mind attaching your thermo dataset (or sending it to support@gwb.com) so that I can take a look at this problem? Thanks, Brian Farrell Aqueous Solutions Quote Link to comment Share on other sites More sharing options...
Brian Farrell Posted June 3, 2015 Share Posted June 3, 2015 Thanks for sending your thermo dataset. We're taking a look at this. In the meantime, as you've discovered, your solution of plotting up to a log ratio of 0.01 works with SO4-- speciated over x in the "in the presence of" section. Alternatively, since you know that H2S(aq) is the dominant form of the ligand below a log ratio of 0, you can swap H2S(aq) for SO4--. That way, you can plot a smaller range if necessary that does not include a log ratio of 0.01. Regards, Brian Quote Link to comment Share on other sites More sharing options...
awebb Posted June 5, 2015 Author Share Posted June 5, 2015 Thanks Brian. Quote Link to comment Share on other sites More sharing options...
Brian Farrell Posted June 8, 2015 Share Posted June 8, 2015 Hi Alex, This issue has been fixed and will become available with the next maintenance release, GWB 10.0.5. Regards, Brian Quote Link to comment Share on other sites More sharing options...
awebb Posted June 15, 2015 Author Share Posted June 15, 2015 Brilliant, thanks! Quote Link to comment Share on other sites More sharing options...
Brian Farrell Posted June 24, 2015 Share Posted June 24, 2015 Hi Alex, GWB 10.0.5 is now available. The update includes a fix to the problem you encountered. Regards, Brian Quote Link to comment Share on other sites More sharing options...
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