<?xml version="1.0" standalone="yes"?>
<!--

       Copyright 2011 Peter Murray-Rust et. al.

       Licensed under the Apache License, Version 2.0 (the "License");
       you may not use this file except in compliance with the License.
       You may obtain a copy of the License at

           http://www.apache.org/licenses/LICENSE-2.0

       Unless required by applicable law or agreed to in writing, software
       distributed under the License is distributed on an "AS IS" BASIS,
       WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
       See the License for the specific language governing permissions and
       limitations under the License.

-->

<cml 
   xmlns="http://www.xml-cml.org/schema"
   xsi:schemaLocation="http://www.xml-cml.org/schema ../../schema.xsd" 
   xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
>
    <!-- a simple NMR spectrum with 2 peaks with 2 couplings but no assignments;
    we might presume that ps11 and ps21 are the same coupling -->
	<spectrum id="spectrum2" title="test peaks">
	    <peakList>
		    <peak id="p1" title="unassigned" 
		        peakShape="sharp" xUnits="unit:ppm" xValue="6.0">
		        <peakStructure id="ps11" type="coupling" peakMultiplicity="nmr:doublet11" 
		           value="10" units="unit:hertz">
		        </peakStructure>		        
		        <peakStructure id="ps12" type="coupling" peakMultiplicity="nmr:doublet11" 
		           value="2" units="unit:hertz">
		        </peakStructure>		        
			</peak>            
		    <peak id="p2" title="unassigned" 
		        peakShape="sharp" xUnits="unit:ppm" xValue="7.0">
		        <peakStructure id="ps21" type="coupling" peakMultiplicity="nmr:doublet11" 
		           value="10" units="unit:hertz">
		        </peakStructure>		        
		        <peakStructure id="ps22" type="coupling" peakMultiplicity="nmr:doublet11" 
		           value="2" units="unit:hertz">
		        </peakStructure>		        
			</peak>            
	    </peakList>
	</spectrum>
</cml>
