s2

ADF log

Table 61. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

Total implementation


Table attributesTable. Template attributes

AttributeValue
source ADF log
ids2
nameTotal S2
pattern\s*S\*\*2\svalue.*
endPattern\s*Total\sS2\s\(S\ssquared\).*
offset-1
endOffset1
repeat*
xml:bases2.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>