sjspielman / dragon

Deep time Redox Analysis of the Geobiology Ontology Network
https://sjspielman.shinyapps.io/dragon/
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Multiple stdev electronegativity values for certain minerals #9

Closed mooreek closed 5 years ago

mooreek commented 5 years ago

Hi, I clicked on some minerals in the full network to look at their stdev electronegativity and they have different stdev electronegativity values at different localities. For example, I clicked on Agmantinite and for some localities the stdev electronegativity is 0.42634 (this is the correct value), and for other localities it is 0.30144, 0.31447, or 0.43274. The mean electronegativity also changes between localities for Agmantinite. The formula for Agmantinite is pretty complex (Ag^1+^_2_Mn^2+^Sn^4+^S^2-^4), perhaps this could be causing issues?

I clicked on some other examples like Aurostibite (AuSb2, stdev = 0.34648) and the stdev was correct and consistent at every localite, so it is not a problem with every mineral.

The mineral Afghanite has a pretty complex formula (Na_22_Ca10(Si_24_Al24)O96(S^6+^O4)_6_Cl6), but the calculated stdev was consistent and correct (1.00064), so I am not sure what the issue is with Agmantinite.

Chambersite (Mn^2+^_3_B_7_O_13_Cl) is another example with inconsistent stdev at different localities (correct stdev 0.89894 is present for certain localities). Perhaps Mn^2+^ (or other element redox states) could be causing some problem? (Mn^2+^ is in both Agmantinite and Chambersite, just a thought).

Thanks! Best, Eli

sjspielman commented 5 years ago

Is this in the Sulfur network?

mooreek commented 5 years ago

I noticed Agmantanite in the full mineral network, but it does contain sulfur. Chambersite does not contain sulfur, but had a similar inconsistent electronegativity standard deviation issue. I also noticed Chambersite in the full mineral network.

sjspielman commented 5 years ago

Bug fixed.. let me know if it's actually not!!