s2

Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source ADF log
id s2
name Total S2
pattern \s*S**2svalue.*
endPattern \s*TotalsS2s(Sssquared).*
offset -1
endOffset 1
repeat *
xml:base results/s2.xml

Input.

==========
S**2 value  ***  see also R. Bulo et al., J.Am.Chem.Soc., 124 (2002) 13903-13910, note (29)  ***
==========

                                      exact      expectation value

Total S2 (S squared)                  0.75000             0.75228

Output text.

<comment class="example.output" id="s2">
        <module cmlx:lineCount="7" cmlx:templateRef="s2">
            <scalar dataType="xsd:double" dictRef="cc:s2">0.75</scalar>
            <scalar dataType="xsd:double" dictRef="cc:s2expected">0.75228</scalar>
        </module>
    </comment>

Template definition.

<record repeat="6" />
<record id="s2">\s*Total\sS2\s\(S\ssquared\){F,cc:s2}{F,cc:s2expected}</record>
<transform process="pullup" xpath=".//cml:scalar" repeat="2" />
<transform process="delete" xpath=".//cml:list" />