s2

Implementation level

Type

Status

CML extraction template

image1

HTML5 representation

image2
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

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

Template definition

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