[Kalzium] Spectrum-Data

[Carsten Niehaus]

Hi

I converted data from NIST.gov to a selfmade xml-format. An example for Gold 
can be found here:

http://physics.nist.gov/PhysRefData/Handbook/Tables/goldtable3_a.htm

This is how my xml looks like 

    <element>
        <number>57</number>
        <spectra>
            <spectrum intensity="300" wavelength="3574.43" aki="0.0" 
energy1="0.000" energy2="27968.54" electronconfig1="5d6s2" 
electronconfig2="4f5d(3D&deg;)6s" term1="2D" term2="&deg;" J1="3/2" 
J2="3/2" />
            <spectrum intensity="300" wavelength="4060.33" aki="0.0" 
energy1="4121.572" energy2="28743.24" electronconfig1="5d2(3F)6s" 
electronconfig2="4f5d(3G&deg;)6s" term1="4F" term2="4G&deg;" J1="9/2" 
J2="11/2" />
    </element>

Of course, this can be improved (<element number="57"> is the most obvious). I 
guess CML also does have some kind of spectrum-data-xml  [1], I even found an 
example file [2], but that format is... huge. Furhtermore, not all terms from 
NIST translate into that format.
So I guess I will stick with my selfmade xml-format until somebody converts 
that to cml-xml and adds it to BlueObelisk :)

Carsten

[1] -- http://www.ch.ic.ac.uk/omf/cml/doc/examples/spectra.html
[2] -- http://www.ch.ic.ac.uk/omf/cml/doc/examples/nmr.cml
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