[Kalzium] [Blue-obelisk] Second and thirs Ionization Energy

[Egon Willighagen]

On Tuesday 02 May 2006 14:40, Carsten Niehaus wrote:
> Currently we have data like this
>
> <scalar dataType="xsd:float" dictRef="bo:ionization"
> unit="units:ev">6.2173</scalar>
>
> I would like to add the information for more energies, at least second and
> third but I have data for up the 7th for some element. I don't like
>
> <scalar dataType="xsd:float" dictRef="bo:ionization7"
> unit="units:ev">656.2173</scalar>
>
> for obvious reasons. 

I guess I am missing the obvious here... which I have now and then... Why does 
the above not look OK to you? Seems fine...

> What about something (this is the shortversion to make 
> a point) like:
>
>         <ionisationenergies>
>             <energy>12.967</energy>
>             <energy>23.8</energy>
>             <energy>39.6</energy>
>         </ionisationenergies>

That would require a change in the CML schema...

> Perhaps you even have a better idea :-)

First looks good.

Egon

-- 
e.willighagen at science.ru.nl
Cologne University Bioinformatics Center (CUBIC)
Blog: http://chem-bla-ics.blogspot.com/
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