s2

Implementation level

Type	Status
CML extraction template
HTML5 representation

Template attributes

Attribute	Value
source	ADF log
id	s2
name	Total S2
pattern	\s*S\*\*2\svalue.*
endPattern	\s*Total\sS2\s\(S\ssquared\).*
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\(S\ssquared\)&#123;F,cc:s2&#125;&#123;F,cc:s2expected&#125;</record>
<transform process="pullup" xpath=".//cml:scalar" repeat="2" />
<transform process="delete" xpath=".//cml:list" />