/*
* MX Cheminformatics Tools for Java
*
* Copyright (c) 2007, 2008 Metamolecular, LLC
*
* http://metamolecular.com
*
* Permission is hereby granted, free of charge, to any person obtaining a copy
* of this software and associated documentation files (the "Software"), to deal
* in the Software without restriction, including without limitation the rights
* to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
* copies of the Software, and to permit persons to whom the Software is
* furnished to do so, subject to the following conditions:
*
* The above copyright notice and this permission notice shall be included in
* all copies or substantial portions of the Software.
*
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
* AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
* LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
* OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
* THE SOFTWARE.
*/
package com.chemhack.jsMolEditor.client.model;
import com.chemhack.jsMolEditor.client.calc.DefaultMeasurement;
import com.chemhack.jsMolEditor.client.calc.Measurement;
import java.util.ArrayList;
import java.util.HashMap;
import java.util.List;
import java.util.Map;
import com.google.gwt.xml.client.Document;
import com.google.gwt.xml.client.Node;
import com.google.gwt.xml.client.XMLParser;
import com.google.gwt.xml.client.NodeList;
//import org.w3c.dom.Document;
//import org.w3c.dom.Node;
//import org.w3c.dom.NodeList;
/**
* @author Richard L. Apodaca
* Duan Lian
*/
public class AtomicSystem {
private static AtomicSystem instance;
private Document document;
private Map<String, Entry> entries;
private AtomicSystem() {
this.document = null;
this.entries = new HashMap<String, Entry>();
loadFile();
}
public boolean hasElement(String atomicSymbol) {
return entries.containsKey(atomicSymbol);
}
public int getAtomicNumber(String atomicSymbol) {
Entry entry = getEntry(atomicSymbol);
return entry.atomicNumber;
}
public List<Isotope> getIsotopes(String atomicSymbol) {
Entry entry = getEntry(atomicSymbol);
return entry.getIsotopes();
}
public Isotope getIsotope(String atomicSymbol, int massNumber) {
Entry entry = getEntry(atomicSymbol);
return entry.getIsotope(massNumber);
}
public Measurement getAverageMass(String atomicSymbol) {
Entry entry = getEntry(atomicSymbol);
return entry.getAverageMass();
}
public static AtomicSystem getInstance() {
if (instance == null) {
instance = new AtomicSystem();
}
return instance;
}
private void loadFile() {
// InputStream in = getClass().getResourceAsStream("atomic_system.xml");
//TODO : hardcoded here, better to find another way
String xmlContent = "<?xml version=\"1.0\" encoding=\"UTF-8\"?><atomic-mass-table mass-units=\"u\" abundance-units=\"Mole Fraction\"><entry symbol=\"H\" atomic-number=\"1\"> <natural-abundance> <mass value=\"1.00794\" error=\"0.00007\" /> <isotope mass-number=\"1\"> <mass value=\"1.0078250319\" error=\"0.00000000006\" /> <abundance value=\"0.999885\" error=\"0.000070\" /> </isotope> <isotope mass-number=\"2\"> <mass value=\"2.0141017779\" error=\"0.0000000006\" /> <abundance value=\"0.000115\" error=\"0.000070\" /> </isotope> </natural-abundance> </entry><entry symbol=\"He\" atomic-number=\"2\"> <natural-abundance> <mass value=\"4.002602\" error=\"0.000002\" /> <isotope mass-number=\"3\"> <mass value=\"3.0160293094\" error=\"0.0000000012\" /> <abundance value=\"0.00000134\" error=\"0.00000003\" /> </isotope> <isotope mass-number=\"4\"> <mass value=\"4.0026032497\" error=\"0.0000000015\" /> <abundance value=\"0.99999866\" error=\"0.00000003\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Li\" atomic-number=\"3\"> <natural-abundance> <mass value=\"6.9421\" error=\"0.002\" /> <isotope mass-number=\"3\"> <mass value=\"6.0151223\" error=\"0.0000005\" /> <abundance value=\"0.0759\" error=\"0.0004\" /> </isotope> <isotope mass-number=\"7\"> <mass value=\"7.0160041\" error=\"0.0000005\" /> <abundance value=\"0.9241\" error=\"0.0004\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Be\" atomic-number=\"4\"> <natural-abundance> <mass value=\"9.012182\" error=\"0.000003\" /> <isotope mass-number=\"9\"> <mass value=\"9.0121822\" error=\"0.0000004\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"B\" atomic-number=\"5\"> <natural-abundance> <mass value=\"10.881\" error=\"0.007\" /> <isotope mass-number=\"10\"> <mass value=\"10.0129371\" error=\"0.0000003\" /> <abundance value=\"0.199\" error=\"0.007\" /> </isotope> <isotope mass-number=\"11\"> <mass value=\"11.0093055\" error=\"0.0000004\" /> <abundance value=\"0.801\" error=\"0.007\" /> </isotope> </natural-abundance> </entry><entry symbol=\"C\" atomic-number=\"6\"> <natural-abundance> <mass value=\"12.0107\" error=\"0.0008\" /> <isotope mass-number=\"12\"> <mass value=\"12\" error=\"0\" /> <abundance value=\"0.9893\" error=\"0.0008\" /> </isotope> <isotope mass-number=\"13\"> <mass value=\"13.003354838\" error=\"0.000000005\" /> <abundance value=\"0.0107\" error=\"0.0008\" /> </isotope> </natural-abundance> </entry><entry symbol=\"N\" atomic-number=\"7\"> <natural-abundance> <mass value=\"14.0067\" error=\"0.0002\" /> <isotope mass-number=\"14\"> <mass value=\"14.0030740074\" error=\"0.0000000018\" /> <abundance value=\"0.99636\" error=\"0.00020\" /> </isotope> <isotope mass-number=\"15\"> <mass value=\"15.000108973\" error=\"0.000000012\" /> <abundance value=\"0.00364\" error=\"0.00020\" /> </isotope> </natural-abundance> </entry><entry symbol=\"O\" atomic-number=\"8\"> <natural-abundance> <mass value=\"15.9994\" error=\"0.0003\" /> <isotope mass-number=\"16\"> <mass value=\"15.9949146223\" error=\"0.0000000025\" /> <abundance value=\"0.99759\" error=\"0.00016\" /> </isotope> <isotope mass-number=\"17\"> <mass value=\"16.99913150\" error=\"0.00000022\" /> <abundance value=\"0.00038\" error=\"0.00001\" /> </isotope> <isotope mass-number=\"18\"> <mass value=\"17.9991604\" error=\"0.0000009\" /> <abundance value=\"0.00205\" error=\"0.00014\" /> </isotope> </natural-abundance> </entry><entry symbol=\"F\" atomic-number=\"9\"> <natural-abundance> <mass value=\"18.9984032\" error=\"0.0000005\" /> <isotope mass-number=\"19\"> <mass value=\"18.99840320\" error=\"0.00000007\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Ne\" atomic-number=\"10\"> <natural-abundance> <mass value=\"20.1797\" error=\"0.0006\" /> <isotope mass-number=\"20\"> <mass value=\"19.992440176\" error=\"0.000000003\" /> <abundance value=\"0.9048\" error=\"0.0003\" /> </isotope> <isotope mass-number=\"21\"> <mass value=\"20.99384674\" error=\"0.00000004\" /> <abundance value=\"0.0027\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"22\"> <mass value=\"21.99138550\" error=\"0.00000025\" /> <abundance value=\"0.0925\" error=\"0.0003\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Na\" atomic-number=\"11\"> <natural-abundance> <mass value=\"22.989770\" error=\"0.000002\" /> <isotope mass-number=\"23\"> <mass value=\"22.98976966\" error=\"0.00000026\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Mg\" atomic-number=\"12\"> <natural-abundance> <mass value=\"24.3050\" error=\"0.0006\" /> <isotope mass-number=\"24\"> <mass value=\"23.98504187\" error=\"0.00000026\" /> <abundance value=\"0.7899\" error=\"0.0004\" /> </isotope> <isotope mass-number=\"25\"> <mass value=\"24.98583700\" error=\"0.00000026\" /> <abundance value=\"0.1000\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"26\"> <mass value=\"25.98259300\" error=\"0.00000026\" /> <abundance value=\"0.1101\" error=\"0.0003\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Al\" atomic-number=\"13\"> <natural-abundance> <mass value=\"26.981538\" error=\"0.000002\" /> <isotope mass-number=\"27\"> <mass value=\"26.98153841\" error=\"0.00000024\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Si\" atomic-number=\"14\"> <natural-abundance> <mass value=\"28.0855\" error=\"0.0003\" /> <isotope mass-number=\"28\"> <mass value=\"27.97692649\" error=\"0.00000022\" /> <abundance value=\"0.92223\" error=\"0.00019\" /> </isotope> <isotope mass-number=\"29\"> <mass value=\"28.97649468\" error=\"0.00000022\" /> <abundance value=\"0.04685\" error=\"0.00008\" /> </isotope> <isotope mass-number=\"30\"> <mass value=\"29.97377018\" error=\"0.00000022\" /> <abundance value=\"0.03092\" error=\"0.00011\" /> </isotope> </natural-abundance> </entry><entry symbol=\"P\" atomic-number=\"15\"> <natural-abundance> <mass value=\"30.973761\" error=\"0.000002\" /> <isotope mass-number=\"31\"> <mass value=\"30.97376149\" error=\"0.00000027\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"S\" atomic-number=\"16\"> <natural-abundance> <mass value=\"32.065\" error=\"0.005\" /> <isotope mass-number=\"32\"> <mass value=\"31.97207073\" error=\"0.00000015\" /> <abundance value=\"0.9499\" error=\"0.0026\" /> </isotope> <isotope mass-number=\"33\"> <mass value=\"32.97145854\" error=\"0.00000015\" /> <abundance value=\"0.0075\" error=\"0.0002\" /> </isotope> <isotope mass-number=\"34\"> <mass value=\"33.96786687\" error=\"0.00000014\" /> <abundance value=\"0.0425\" error=\"0.0024\" /> </isotope> <isotope mass-number=\"36\"> <mass value=\"35.96708088\" error=\"0.00000025\" /> <abundance value=\"0.0001\" error=\"0.0001\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Cl\" atomic-number=\"17\"> <natural-abundance> <mass value=\"35.453\" error=\"0.002\" /> <isotope mass-number=\"35\"> <mass value=\"34.96885271\" error=\"0.00000004\" /> <abundance value=\"0.7576\" error=\"0.0010\" /> </isotope> <isotope mass-number=\"37\"> <mass value=\"36.96590260\" error=\"0.00000005\" /> <abundance value=\"0.2424\" error=\"0.0010\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Ar\" atomic-number=\"18\"> <natural-abundance> <mass value=\"39.948\" error=\"0.001\" /> <isotope mass-number=\"36\"> <mass value=\"35.96754626\" error=\"0.00000027\" /> <abundance value=\"0.0003365\" error=\"0.000030\" /> </isotope> <isotope mass-number=\"38\"> <mass value=\"37.9627322\" error=\"0.0000005\" /> <abundance value=\"0.000632\" error=\"0.000005\" /> </isotope> <isotope mass-number=\"40\"> <mass value=\"39.962383124\" error=\"0.000000005\" /> <abundance value=\"0.996003\" error=\"0.000030\" /> </isotope> </natural-abundance> </entry><entry symbol=\"K\" atomic-number=\"19\"> <natural-abundance> <mass value=\"39.0983\" error=\"0.0001\" /> <isotope mass-number=\"39\"> <mass value=\"38.9637069\" error=\"0.0000003\" /> <abundance value=\"0.932581\" error=\"0.000044\" /> </isotope> <isotope mass-number=\"40\"> <mass value=\"39.96399867\" error=\"0.00000029\" /> <abundance value=\"0.000117\" error=\"0.000001\" /> </isotope> <isotope mass-number=\"41\"> <mass value=\"40.96182597\" error=\"0.00000028\" /> <abundance value=\"0.067302\" error=\"0.000044\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Ca\" atomic-number=\"20\"> <natural-abundance> <mass value=\"40.078\" error=\"0.004\" /> <isotope mass-number=\"40\"> <mass value=\"39.9625912\" error=\"0.0000003\" /> <abundance value=\"0.96941\" error=\"0.00156\" /> </isotope> <isotope mass-number=\"42\"> <mass value=\"41.9586183\" error=\"0.0000004\" /> <abundance value=\"0.00647\" error=\"0.00023\" /> </isotope> <isotope mass-number=\"43\"> <mass value=\"42.9587668\" error=\"0.0000005\" /> <abundance value=\"0.00135\" error=\"0.00010\" /> </isotope> <isotope mass-number=\"44\"> <mass value=\"43.9554811\" error=\"0.0000009\" /> <abundance value=\"0.02086\" error=\"0.00110\" /> </isotope> <isotope mass-number=\"46\"> <mass value=\"45.9536927\" error=\"0.0000025\" /> <abundance value=\"0.00004\" error=\"0.00003\" /> </isotope> <isotope mass-number=\"48\"> <mass value=\"47.952533\" error=\"0.000004\" /> <abundance value=\"0.00187\" error=\"0.00021\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Sc\" atomic-number=\"21\"> <natural-abundance> <mass value=\"44.955910\" error=\"0.000008\" /> <isotope mass-number=\"45\"> <mass value=\"44.9559102\" error=\"0.0000012\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Ti\" atomic-number=\"22\"> <natural-abundance> <mass value=\"47.867\" error=\"0.001\" /> <isotope mass-number=\"46\"> <mass value=\"45.9526295\" error=\"0.0000012\" /> <abundance value=\"0.0825\" error=\"0.0003\" /> </isotope> <isotope mass-number=\"47\"> <mass value=\"46.9517637\" error=\"0.0000010\" /> <abundance value=\"0.0744\" error=\"0.0002\" /> </isotope> <isotope mass-number=\"48\"> <mass value=\"47.9479470\" error=\"0.0000010\" /> <abundance value=\"0.7372\" error=\"0.0003\" /> </isotope> <isotope mass-number=\"49\"> <mass value=\"48.9478707\" error=\"0.0000010\" /> <abundance value=\"0.0541\" error=\"0.0002\" /> </isotope> </natural-abundance> </entry><entry symbol=\"V\" atomic-number=\"23\"> <natural-abundance> <mass value=\"50.9415\" error=\"0.0001\" /> <isotope mass-number=\"50\"> <mass value=\"49.9471627\" error=\"0.0000014\" /> <abundance value=\"0.00250\" error=\"0.00004\" /> </isotope> <isotope mass-number=\"51\"> <mass value=\"50.9439635\" error=\"0.0000014\" /> <abundance value=\"0.99750\" error=\"0.00004\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Cr\" atomic-number=\"24\"> <natural-abundance> <mass value=\"51.9961\" error=\"0.0006\" /> <isotope mass-number=\"50\"> <mass value=\"49.9460495\" error=\"0.0000014\" /> <abundance value=\"0.04345\" error=\"0.00013\" /> </isotope> <isotope mass-number=\"52\"> <mass value=\"51.9405115\" error=\"0.0000015\" /> <abundance value=\"0.83789\" error=\"0.00018\" /> </isotope> <isotope mass-number=\"53\"> <mass value=\"52.9406534\" error=\"0.0000015\" /> <abundance value=\"0.09501\" error=\"0.00017\" /> </isotope> <isotope mass-number=\"54\"> <mass value=\"53.938846\" error=\"0.0000015\" /> <abundance value=\"0.02365\" error=\"0.00007\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Mn\" atomic-number=\"25\"> <natural-abundance> <mass value=\"54.938049\" error=\"0.000009\" /> <isotope mass-number=\"55\"> <mass value=\"54.9380493\" error=\"0.0000015\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Fe\" atomic-number=\"26\"> <natural-abundance> <mass value=\"55.845\" error=\"0.002\" /> <isotope mass-number=\"54\"> <mass value=\"53.9396147\" error=\"0.0000014\" /> <abundance value=\"0.05845\" error=\"0.00035\" /> </isotope> <isotope mass-number=\"56\"> <mass value=\"55.9349418\" error=\"0.0000015\" /> <abundance value=\"0.91754\" error=\"0.00036\" /> </isotope> <isotope mass-number=\"57\"> <mass value=\"56.9353983\" error=\"0.0000015\" /> <abundance value=\"0.02119\" error=\"0.00010\" /> </isotope> <isotope mass-number=\"58\"> <mass value=\"57.9332801\" error=\"0.0000015\" /> <abundance value=\"0.00282\" error=\"0.00004\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Co\" atomic-number=\"27\"> <natural-abundance> <mass value=\"58.933200\" error=\"0.000009\" /> <isotope mass-number=\"59\"> <mass value=\"59.9331999\" error=\"0.0000015\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Ni\" atomic-number=\"28\"> <natural-abundance> <mass value=\"58.6934\" error=\"0.0002\" /> <isotope mass-number=\"58\"> <mass value=\"57.9353477\" error=\"0.0000016\" /> <abundance value=\"0.680769\" error=\"0.000089\" /> </isotope> <isotope mass-number=\"60\"> <mass value=\"59.9307903\" error=\"0.0000015\" /> <abundance value=\"0.262231\" error=\"0.000077\" /> </isotope> <isotope mass-number=\"61\"> <mass value=\"60.9310601\" error=\"0.0000015\" /> <abundance value=\"0.011399\" error=\"0.000006\" /> </isotope> <isotope mass-number=\"62\"> <mass value=\"61.9283484\" error=\"0.0000015\" /> <abundance value=\"0.0036345\" error=\"0.000017\" /> </isotope> <isotope mass-number=\"64\"> <mass value=\"63.9279692\" error=\"0.0000016\" /> <abundance value=\"0.009256\" error=\"0.000009\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Cu\" atomic-number=\"29\"> <natural-abundance> <mass value=\"63.546\" error=\"0.003\" /> <isotope mass-number=\"63\"> <mass value=\"62.9296007\" error=\"0.0000015\" /> <abundance value=\"0.6915\" error=\"0.0015\" /> </isotope> <isotope mass-number=\"65\"> <mass value=\"64.9277938\" error=\"0.0000019\" /> <abundance value=\"0.3085\" error=\"0.0015\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Zn\" atomic-number=\"30\"> <natural-abundance> <mass value=\"65.409\" error=\"0.004\" /> <isotope mass-number=\"64\"> <mass value=\"63.9291461\" error=\"0.0000018\" /> <abundance value=\"0.48268\" error=\"0.00321\" /> </isotope> <isotope mass-number=\"66\"> <mass value=\"65.9260364\" error=\"0.0000017\" /> <abundance value=\"0.27975\" error=\"0.00077\" /> </isotope> <isotope mass-number=\"67\"> <mass value=\"66.9271305\" error=\"0.0000017\" /> <abundance value=\"0.04102\" error=\"0.00021\" /> </isotope> <isotope mass-number=\"68\"> <mass value=\"67.9248473\" error=\"0.0000017\" /> <abundance value=\"0.19024\" error=\"0.00123\" /> </isotope> <isotope mass-number=\"70\"> <mass value=\"69.925325\" error=\"0.000004\" /> <abundance value=\"0.00631\" error=\"0.00009\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Ga\" atomic-number=\"31\"> <natural-abundance> <mass value=\"69.723\" error=\"0.001\" /> <isotope mass-number=\"69\"> <mass value=\"68.925581\" error=\"0.000003\" /> <abundance value=\"0.60108\" error=\"0.00009\" /> </isotope> <isotope mass-number=\"71\"> <mass value=\"70.9247073\" error=\"0.0000020\" /> <abundance value=\"0.39892\" error=\"0.00009\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Ge\" atomic-number=\"32\"> <natural-abundance> <mass value=\"72.64\" error=\"0.01\" /> <isotope mass-number=\"70\"> <mass value=\"69.9242500\" error=\"0.0000019\" /> <abundance value=\"0.2038\" error=\"0.0018\" /> </isotope> <isotope mass-number=\"72\"> <mass value=\"71.9220763\" error=\"0.0000016\" /> <abundance value=\"0.2731\" error=\"0.0026\" /> </isotope> <isotope mass-number=\"73\"> <mass value=\"72.9234595\" error=\"0.0000016\" /> <abundance value=\"0.0776\" error=\"0.0008\" /> </isotope> <isotope mass-number=\"74\"> <mass value=\"73.9211784\" error=\"0.0000016\" /> <abundance value=\"0.3672\" error=\"0.0015\" /> </isotope> <isotope mass-number=\"76\"> <mass value=\"75.9214029\" error=\"0.0000016\" /> <abundance value=\"0.0783\" error=\"0.0007\" /> </isotope> </natural-abundance> </entry><entry symbol=\"As\" atomic-number=\"33\"> <natural-abundance> <mass value=\"74.92160\" error=\"0.00002\" /> <isotope mass-number=\"75\"> <mass value=\"74.9215966\" error=\"0.0000018\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Se\" atomic-number=\"34\"> <natural-abundance> <mass value=\"78.96\" error=\"0.03\" /> <isotope mass-number=\"74\"> <mass value=\"73.9224767\" error=\"0.0000016\" /> <abundance value=\"0.0089\" error=\"0.0004\" /> </isotope> <isotope mass-number=\"76\"> <mass value=\"75.9192143\" error=\"0.0000016\" /> <abundance value=\"0.0937\" error=\"0.0029\" /> </isotope> <isotope mass-number=\"77\"> <mass value=\"76.9199148\" error=\"0.0000016\" /> <abundance value=\"0.0763\" error=\"0.0016\" /> </isotope> <isotope mass-number=\"78\"> <mass value=\"77.9173097\" error=\"0.0000016\" /> <abundance value=\"0.2377\" error=\"0.0028\" /> </isotope> <isotope mass-number=\"80\"> <mass value=\"79.9165221\" error=\"0.0000020\" /> <abundance value=\"0.4961\" error=\"0.0041\" /> </isotope> <isotope mass-number=\"82\"> <mass value=\"81.9167003\" error=\"0.0000022\" /> <abundance value=\"0.0873\" error=\"0.0022\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Br\" atomic-number=\"35\"> <natural-abundance> <mass value=\"79.904\" error=\"0.001\" /> <isotope mass-number=\"79\"> <mass value=\"78.9183379\" error=\"0.0000020\" /> <abundance value=\"0.5069\" error=\"0.0007\" /> </isotope> <isotope mass-number=\"81\"> <mass value=\"80.916291\" error=\"0.000003\" /> <abundance value=\"0.4931\" error=\"0.0007\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Kr\" atomic-number=\"36\"> <natural-abundance> <mass value=\"83.798\" error=\"0.002\" /> <isotope mass-number=\"78\"> <mass value=\"77.920388\" error=\"0.000007\" /> <abundance value=\"0.00355\" error=\"0.00003\" /> </isotope> <isotope mass-number=\"80\"> <mass value=\"79.916379\" error=\"0.000004\" /> <abundance value=\"0.02286\" error=\"0.00010\" /> </isotope> <isotope mass-number=\"82\"> <mass value=\"81.9134850\" error=\"0.0000028\" /> <abundance value=\"0.11593\" error=\"0.00031\" /> </isotope> <isotope mass-number=\"83\"> <mass value=\"82.914137\" error=\"0.000004\" /> <abundance value=\"0.11500\" error=\"0.00019\" /> </isotope> <isotope mass-number=\"84\"> <mass value=\"83.911508\" error=\"0.000003\" /> <abundance value=\"0.56987\" error=\"0.00015\" /> </isotope> <isotope mass-number=\"86\"> <mass value=\"85.910615\" error=\"0.000005\" /> <abundance value=\"0.17279\" error=\"0.00041\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Rb\" atomic-number=\"37\"> <natural-abundance> <mass value=\"85.4678\" error=\"0.0003\" /> <isotope mass-number=\"85\"> <mass value=\"84.9117924\" error=\"0.0000027\" /> <abundance value=\"0.7217\" error=\"0.0002\" /> </isotope> <isotope mass-number=\"87\"> <mass value=\"86.9091858\" error=\"0.0000028\" /> <abundance value=\"0.2783\" error=\"0.0002\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Sr\" atomic-number=\"38\"> <natural-abundance> <mass value=\"87.62\" error=\"0.01\" /> <isotope mass-number=\"84\"> <mass value=\"83.913426\" error=\"0.000004\" /> <abundance value=\"0.0056\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"86\"> <mass value=\"85.9092647\" error=\"0.0000025\" /> <abundance value=\"0.0986\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"87\"> <mass value=\"86.9088816\" error=\"0.0000025\" /> <abundance value=\"0.0700\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"88\"> <mass value=\"87.9056167\" error=\"0.0000025\" /> <abundance value=\"0.8258\" error=\"0.0001\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Y\" atomic-number=\"39\"> <natural-abundance> <mass value=\"88.90585\" error=\"0.00002\" /> <isotope mass-number=\"89\"> <mass value=\"88.9058485\" error=\"0.0000026\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Zr\" atomic-number=\"40\"> <natural-abundance> <mass value=\"91.224\" error=\"0.002\" /> <isotope mass-number=\"90\"> <mass value=\"89.9047022\" error=\"0.0000024\" /> <abundance value=\"0.5145\" error=\"0.0040\" /> </isotope> <isotope mass-number=\"91\"> <mass value=\"90.9056434\" error=\"0.0000023\" /> <abundance value=\"0.1122\" error=\"0.0005\" /> </isotope> <isotope mass-number=\"92\"> <mass value=\"91.9050386\" error=\"0.0000023\" /> <abundance value=\"0.1715\" error=\"0.0008\" /> </isotope> <isotope mass-number=\"94\"> <mass value=\"93.9063144\" error=\"0.0000026\" /> <abundance value=\"0.1738\" error=\"0.0028\" /> </isotope> <isotope mass-number=\"96\"> <mass value=\"95.908275\" error=\"0.000003\" /> <abundance value=\"0.0280\" error=\"0.0009\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Nb\" atomic-number=\"41\"> <natural-abundance> <mass value=\"92.90638\" error=\"0.00002\" /> <isotope mass-number=\"93\"> <mass value=\"92.9063762\" error=\"0.0000024\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Mo\" atomic-number=\"42\"> <natural-abundance> <mass value=\"95.94\" error=\"0.02\" /> <isotope mass-number=\"92\"> <mass value=\"91.906810\" error=\"0.000004\" /> <abundance value=\"0.1477\" error=\"0.0031\" /> </isotope> <isotope mass-number=\"94\"> <mass value=\"93.9050867\" error=\"0.0000020\" /> <abundance value=\"0.0923\" error=\"0.0010\" /> </isotope> <isotope mass-number=\"95\"> <mass value=\"94.9058406\" error=\"0.0000020\" /> <abundance value=\"0.1590\" error=\"0.0009\" /> </isotope> <isotope mass-number=\"96\"> <mass value=\"95.9046780\" error=\"0.0000020\" /> <abundance value=\"0.1668\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"97\"> <mass value=\"96.9030201\" error=\"0.0000020\" /> <abundance value=\"0.0956\" error=\"0.0005\" /> </isotope> <isotope mass-number=\"98\"> <mass value=\"97.9054069\" error=\"0.0000020\" /> <abundance value=\"0.2419\" error=\"0.0026\" /> </isotope> <isotope mass-number=\"100\"> <mass value=\"99.907476\" error=\"0.000006\" /> <abundance value=\"0.0967\" error=\"0.0020\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Ru\" atomic-number=\"44\"> <natural-abundance> <mass value=\"101.07\" error=\"0.02\" /> <isotope mass-number=\"96\"> <mass value=\"95.907604\" error=\"0.000009\" /> <abundance value=\"0.0554\" error=\"0.0014\" /> </isotope> <isotope mass-number=\"98\"> <mass value=\"97.905287\" error=\"0.000007\" /> <abundance value=\"0.0187\" error=\"0.0003\" /> </isotope> <isotope mass-number=\"99\"> <mass value=\"98.9059385\" error=\"0.0000022\" /> <abundance value=\".01276\" error=\"0.0014\" /> </isotope> <isotope mass-number=\"100\"> <mass value=\"99.9042189\" error=\"0.0000022\" /> <abundance value=\"0.1260\" error=\"0.0007\" /> </isotope> <isotope mass-number=\"101\"> <mass value=\"100.9055815\" error=\"0.0000022\" /> <abundance value=\"0.1706\" error=\"0.0002\" /> </isotope> <isotope mass-number=\"102\"> <mass value=\"101.9043488\" error=\"0.0000022\" /> <abundance value=\"0.3155\" error=\"0.0014\" /> </isotope> <isotope mass-number=\"104\"> <mass value=\"103.905430\" error=\".01862\" /> <abundance value=\"0.1862\" error=\"0.0027\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Rh\" atomic-number=\"45\"> <natural-abundance> <mass value=\"1025.90550\" error=\"0.00002\" /> <isotope mass-number=\"103\"> <mass value=\"102.905504\" error=\"0.000003\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Pd\" atomic-number=\"46\"> <natural-abundance> <mass value=\"106.42\" error=\"0.01\" /> <isotope mass-number=\"102\"> <mass value=\"101.905607\" error=\"0.000003\" /> <abundance value=\"0.0102\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"104\"> <mass value=\"103.904034\" error=\"0.000005\" /> <abundance value=\"0.1114\" error=\"0.0008\" /> </isotope> <isotope mass-number=\"105\"> <mass value=\"104.905083\" error=\"0.000005\" /> <abundance value=\"0.2233\" error=\"0.0008\" /> </isotope> <isotope mass-number=\"106\"> <mass value=\"105.903484\" error=\"0.000005\" /> <abundance value=\"0.2733\" error=\"0.0003\" /> </isotope> <isotope mass-number=\"108\"> <mass value=\"107.903895\" error=\"0.000004\" /> <abundance value=\"0.2646\" error=\"0.0009\" /> </isotope> <isotope mass-number=\"110\"> <mass value=\"109.905153\" error=\"0.000012\" /> <abundance value=\"0.1172\" error=\"0.0009\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Ag\" atomic-number=\"47\"> <natural-abundance> <mass value=\"107.8682\" error=\"0.0002\" /> <isotope mass-number=\"107\"> <mass value=\"106.905093\" error=\"0.000006\" /> <abundance value=\"0.51839\" error=\"0.00008\" /> </isotope> <isotope mass-number=\"109\"> <mass value=\"108.904756\" error=\"0.000003\" /> <abundance value=\"0.48161\" error=\"0.00008\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Cd\" atomic-number=\"48\"> <natural-abundance> <mass value=\"112.411\" error=\"0.008\" /> <isotope mass-number=\"106\"> <mass value=\"105.906458\" error=\"0.000006\" /> <abundance value=\"0.0125\" error=\"0.0006\" /> </isotope> <isotope mass-number=\"108\"> <mass value=\"107.904183\" error=\"0.000006\" /> <abundance value=\"0.0089\" error=\"0.0003\" /> </isotope> <isotope mass-number=\"110\"> <mass value=\"109.903006\" error=\"0.000003\" /> <abundance value=\"0.1249\" error=\"0.0018\" /> </isotope> <isotope mass-number=\"111\"> <mass value=\"110.904182\" error=\"0.000003\" /> <abundance value=\"0.1280\" error=\"0.0012\" /> </isotope> <isotope mass-number=\"112\"> <mass value=\"111.9027577\" error=\"0.0000030\" /> <abundance value=\"0.2413\" error=\"0.0021\" /> </isotope> <isotope mass-number=\"113\"> <mass value=\"112.9044014\" error=\"0.0000030\" /> <abundance value=\"0.1222\" error=\"0.0012\" /> </isotope> <isotope mass-number=\"114\"> <mass value=\"113.9033586\" error=\"0.0000030\" /> <abundance value=\"0.2873\" error=\"0.0042\" /> </isotope> <isotope mass-number=\"116\"> <mass value=\"115.904756\" error=\"0.000003\" /> <abundance value=\"0.0749\" error=\"0.0018\" /> </isotope> </natural-abundance> </entry><entry symbol=\"In\" atomic-number=\"49\"> <natural-abundance> <mass value=\"114.818\" error=\"0.003\" /> <isotope mass-number=\"113\"> <mass value=\"112.904062\" error=\"0.000004\" /> <abundance value=\"0.0429\" error=\"0.0005\" /> </isotope> <isotope mass-number=\"115\"> <mass value=\"114.903879\" error=\"0.000040\" /> <abundance value=\"0.9571\" error=\"0.0005\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Sn\" atomic-number=\"50\"> <natural-abundance> <mass value=\"118.710\" error=\"0.007\" /> <isotope mass-number=\"112\"> <mass value=\"111.904822\" error=\"0.000005\" /> <abundance value=\"0.0097\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"114\"> <mass value=\"113.902783\" error=\"0.000003\" /> <abundance value=\"0.0066\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"115\"> <mass value=\"114.903347\" error=\"0.000003\" /> <abundance value=\"0.0034\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"116\"> <mass value=\"115.901745\" error=\"0.000003\" /> <abundance value=\"0.1454\" error=\"0.0009\" /> </isotope> <isotope mass-number=\"117\"> <mass value=\"116.902955\" error=\"0.000003\" /> <abundance value=\"0.0768\" error=\"0.0007\" /> </isotope> <isotope mass-number=\"118\"> <mass value=\"117.901608\" error=\"0.000003\" /> <abundance value=\"0.2422\" error=\"0.0009\" /> </isotope> <isotope mass-number=\"119\"> <mass value=\"118.903311\" error=\"0.000003\" /> <abundance value=\"0.0859\" error=\"0.0004\" /> </isotope> <isotope mass-number=\"120\"> <mass value=\"119.9021985\" error=\"0.0000027\" /> <abundance value=\"0.3258\" error=\"0.0009\" /> </isotope> <isotope mass-number=\"122\"> <mass value=\"121.9034411\" error=\"0.0000029\" /> <abundance value=\"0.0463\" error=\"0.0003\" /> </isotope> <isotope mass-number=\"124\"> <mass value=\"123.9052745\" error=\"0.0000015\" /> <abundance value=\"0.0579\" error=\"0.0005\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Sb\" atomic-number=\"51\"> <natural-abundance> <mass value=\"121.760\" error=\"0.001\" /> <isotope mass-number=\"121\"> <mass value=\"120.9038222\" error=\"0.0000026\" /> <abundance value=\"0.5721\" error=\"0.0005\" /> </isotope> <isotope mass-number=\"123\"> <mass value=\"122.9042160\" error=\"0.0000022\" /> <abundance value=\"0.4279\" error=\"0.0005\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Te\" atomic-number=\"52\"> <natural-abundance> <mass value=\"127.60\" error=\"0.03\" /> <isotope mass-number=\"120\"> <mass value=\"119.904026\" error=\"0.000011\" /> <abundance value=\"0.0009\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"122\"> <mass value=\"121.9030558\" error=\"0.0000029\" /> <abundance value=\"0.0255\" error=\"0.0012\" /> </isotope> <isotope mass-number=\"123\"> <mass value=\"122.9042711\" error=\"0.0000020\" /> <abundance value=\"0.0089\" error=\"0.0003\" /> </isotope> <isotope mass-number=\"124\"> <mass value=\"123.9028188\" error=\"0.0000016\" /> <abundance value=\"0.0474\" error=\"0.0014\" /> </isotope> <isotope mass-number=\"125\"> <mass value=\"124.9044241\" error=\"0.0000020\" /> <abundance value=\"0.0707\" error=\"0.0015\" /> </isotope> <isotope mass-number=\"126\"> <mass value=\"125.9033049\" error=\"0.0000020\" /> <abundance value=\"0.1884\" error=\"0.0025\" /> </isotope> <isotope mass-number=\"128\"> <mass value=\"127.9044615\" error=\"0.0000019\" /> <abundance value=\"0.3174\" error=\"0.0008\" /> </isotope> <isotope mass-number=\"130\"> <mass value=\"129.9062229\" error=\"0.0000021\" /> <abundance value=\"0.3408\" error=\"0.0062\" /> </isotope> </natural-abundance> </entry><entry symbol=\"I\" atomic-number=\"53\"> <natural-abundance> <mass value=\"126.90447\" error=\"0.00003\" /> <isotope mass-number=\"127\"> <mass value=\"126.904468\" error=\"0.000004\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Xe\" atomic-number=\"54\"> <natural-abundance> <mass value=\"131.293\" error=\"0.006\" /> <isotope mass-number=\"124\"> <mass value=\"123.9058954\" error=\"0.0000021\" /> <abundance value=\"0.000952\" error=\"0.000003\" /> </isotope> <isotope mass-number=\"126\"> <mass value=\"125.904268\" error=\"0.000007\" /> <abundance value=\"0.000890\" error=\"0.000002\" /> </isotope> <isotope mass-number=\"128\"> <mass value=\"127.9035305\" error=\"0.0000015\" /> <abundance value=\"0.019102\" error=\"0.000008\" /> </isotope> <isotope mass-number=\"129\"> <mass value=\"128.9047799\" error=\"0.0000009\" /> <abundance value=\"0.264006\" error=\"0.000082\" /> </isotope> <isotope mass-number=\"130\"> <mass value=\"129.9035089\" error=\"0.0000011\" /> <abundance value=\"0.040710\" error=\"0.000013\" /> </isotope> <isotope mass-number=\"131\"> <mass value=\"130.9050828\" error=\"0.0000018\" /> <abundance value=\"0.212324\" error=\"0.000030\" /> </isotope> <isotope mass-number=\"132\"> <mass value=\"131.9041546\" error=\"0.0000015\" /> <abundance value=\"0.269086\" error=\"0.000033\" /> </isotope> <isotope mass-number=\"134\"> <mass value=\"133.9053945\" error=\"0.0000009\" /> <abundance value=\"0.104357\" error=\"0.000021\" /> </isotope> <isotope mass-number=\"136\"> <mass value=\"135.907220\" error=\"0.000008\" /> <abundance value=\"0.088573\" error=\"0.000044\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Cs\" atomic-number=\"55\"> <natural-abundance> <mass value=\"132.90545\" error=\"0.00002\" /> <isotope mass-number=\"133\"> <mass value=\"132.905447\" error=\"0.000003\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Ba\" atomic-number=\"56\"> <natural-abundance> <mass value=\"137.327\" error=\"0.007\" /> <isotope mass-number=\"130\"> <mass value=\"129.906311\" error=\"0.000007\" /> <abundance value=\"0.00106\" error=\"0.00001\" /> </isotope> <isotope mass-number=\"132\"> <mass value=\"131.905056\" error=\"0.000003\" /> <abundance value=\"0.00101\" error=\"0.00001\" /> </isotope> <isotope mass-number=\"134\"> <mass value=\"133.904504\" error=\"0.000003\" /> <abundance value=\"0.02417\" error=\"0.00018\" /> </isotope> <isotope mass-number=\"135\"> <mass value=\"134.905684\" error=\"0.000003\" /> <abundance value=\"0.000003\" error=\"0.00012\" /> </isotope> <isotope mass-number=\"136\"> <mass value=\"135.904571\" error=\"0.000003\" /> <abundance value=\"0.07854\" error=\"0.00024\" /> </isotope> <isotope mass-number=\"137\"> <mass value=\"136.905822\" error=\"0.000003\" /> <abundance value=\"0.11232\" error=\"0.00024\" /> </isotope> <isotope mass-number=\"138\"> <mass value=\"137.905242\" error=\"0.000003\" /> <abundance value=\"0.71698\" error=\"0.00042\" /> </isotope> </natural-abundance> </entry><entry symbol=\"La\" atomic-number=\"57\"> <natural-abundance> <mass value=\"138.9055\" error=\"0.0002\" /> <isotope mass-number=\"138\"> <mass value=\"137.907108\" error=\"0.000004\" /> <abundance value=\"0.00090\" error=\"0.00001\" /> </isotope> <isotope mass-number=\"139\"> <mass value=\"138.906349\" error=\"0.000004\" /> <abundance value=\"0.99910\" error=\"0.00001\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Ce\" atomic-number=\"58\"> <natural-abundance> <mass value=\"140.116\" error=\"0.001\" /> <isotope mass-number=\"136\"> <mass value=\"135.907140\" error=\"0.000050\" /> <abundance value=\"0.00185\" error=\"0.00002\" /> </isotope> <isotope mass-number=\"138\"> <mass value=\"137.905986\" error=\"0.000011\" /> <abundance value=\"0.00251\" error=\"0.00002\" /> </isotope> <isotope mass-number=\"140\"> <mass value=\"139.905\" error=\"0.000003\" /> <abundance value=\"0.88450\" error=\"0.00051\" /> </isotope> <isotope mass-number=\"142\"> <mass value=\"141.909241\" error=\"0.000004\" /> <abundance value=\"0.11114\" error=\"0.00051\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Pr\" atomic-number=\"59\"> <natural-abundance> <mass value=\"140.90765\" error=\"0.00002\" /> <isotope mass-number=\"141\"> <mass value=\"140.907648\" error=\"0.000003\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Nd\" atomic-number=\"60\"> <natural-abundance> <mass value=\"144.24\" error=\"0.03\" /> <isotope mass-number=\"142\"> <mass value=\"141.907719\" error=\"0.000003\" /> <abundance value=\"0.272\" error=\"0.005\" /> </isotope> <isotope mass-number=\"143\"> <mass value=\"142.909810\" error=\"0.000003\" /> <abundance value=\"0.122\" error=\"0.002\" /> </isotope> <isotope mass-number=\"144\"> <mass value=\"143.910083\" error=\"0.000003\" /> <abundance value=\"0.238\" error=\"0.003\" /> </isotope> <isotope mass-number=\"145\"> <mass value=\"144.912569\" error=\"0.000003\" /> <abundance value=\"0.083\" error=\"0.001\" /> </isotope> <isotope mass-number=\"146\"> <mass value=\"145.913113\" error=\"0.000003\" /> <abundance value=\"0.172\" error=\"0.003\" /> </isotope> <isotope mass-number=\"148\"> <mass value=\"147.916889\" error=\"0.000004\" /> <abundance value=\"0.057\" error=\"0.001\" /> </isotope> <isotope mass-number=\"150\"> <mass value=\"149.920887\" error=\"0.000004\" /> <abundance value=\"0.056\" error=\"0.002\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Sm\" atomic-number=\"62\"> <natural-abundance> <mass value=\"150.36\" error=\"0.03\" /> <isotope mass-number=\"144\"> <mass value=\"143.911996\" error=\"0.000004\" /> <abundance value=\"0.0307\" error=\"0.0007\" /> </isotope> <isotope mass-number=\"147\"> <mass value=\"146.914894\" error=\"0.000003\" /> <abundance value=\"0.1499\" error=\"0.0018\" /> </isotope> <isotope mass-number=\"148\"> <mass value=\"147.914818\" error=\"0.1124\" /> <abundance value=\"0.1124\" error=\"0.0010\" /> </isotope> <isotope mass-number=\"149\"> <mass value=\"148.917180\" error=\"0.000003\" /> <abundance value=\"0.1382\" error=\"0.0007\" /> </isotope> <isotope mass-number=\"150\"> <mass value=\"149.917272\" error=\"0.000003\" /> <abundance value=\"0.0738\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"152\"> <mass value=\"151.919729\" error=\"0.000003\" /> <abundance value=\"0.2675\" error=\"0.0016\" /> </isotope> <isotope mass-number=\"154\"> <mass value=\"153.922206\" error=\"0.000003\" /> <abundance value=\"0.2275\" error=\"0.0029\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Eu\" atomic-number=\"63\"> <natural-abundance> <mass value=\"151.964\" error=\"0.001\" /> <isotope mass-number=\"151\"> <mass value=\"150.919846\" error=\"0.000003\" /> <abundance value=\"0.4781\" error=\"0.0006\" /> </isotope> <isotope mass-number=\"153\"> <mass value=\"152.921227\" error=\"0.000003\" /> <abundance value=\"0.5219\" error=\"0.0006\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Gd\" atomic-number=\"64\"> <natural-abundance> <mass value=\"157.25\" error=\"0.03\" /> <isotope mass-number=\"152\"> <mass value=\"151.919789\" error=\"0.000003\" /> <abundance value=\"0.0020\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"154\"> <mass value=\"153.920862\" error=\"0.000003\" /> <abundance value=\"0.0218\" error=\"0.0003\" /> </isotope> <isotope mass-number=\"155\"> <mass value=\"154.922619\" error=\"0.000003\" /> <abundance value=\"0.1480\" error=\"0.0012\" /> </isotope> <isotope mass-number=\"156\"> <mass value=\"155.922120\" error=\"0.000003\" /> <abundance value=\"0.2047\" error=\"0.0009\" /> </isotope> <isotope mass-number=\"157\"> <mass value=\"156.923957\" error=\"0.000003\" /> <abundance value=\"0.1565\" error=\"0.0002\" /> </isotope> <isotope mass-number=\"158\"> <mass value=\"157.924101\" error=\"0.000003\" /> <abundance value=\"0.2484\" error=\"0.0007\" /> </isotope> <isotope mass-number=\"160\"> <mass value=\"159.927051\" error=\"0.000003\" /> <abundance value=\"0.2186\" error=\"0.0019\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Tb\" atomic-number=\"65\"> <natural-abundance> <mass value=\"158.92534\" error=\"0.00002\" /> <isotope mass-number=\"159\"> <mass value=\"158.925343\" error=\"0.000003\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Dy\" atomic-number=\"66\"> <natural-abundance> <mass value=\"162.500\" error=\"0.001\" /> <isotope mass-number=\"156\"> <mass value=\"155.924278\" error=\"0.000007\" /> <abundance value=\"0.00056\" error=\"0.00003\" /> </isotope> <isotope mass-number=\"158\"> <mass value=\"157.924405\" error=\"0.000004\" /> <abundance value=\"0.00095\" error=\"0.00003\" /> </isotope> <isotope mass-number=\"160\"> <mass value=\"159.925194\" error=\"0.000003\" /> <abundance value=\"0.02329\" error=\"0.00018\" /> </isotope> <isotope mass-number=\"161\"> <mass value=\"160.926930\" error=\"0.000003\" /> <abundance value=\"0.18889\" error=\"0.00042\" /> </isotope> <isotope mass-number=\"162\"> <mass value=\"161.926795\" error=\"0.000003\" /> <abundance value=\"0.25475\" error=\"0.00036\" /> </isotope> <isotope mass-number=\"163\"> <mass value=\"162.928728\" error=\"0.000003\" /> <abundance value=\"0.24896\" error=\"0.00042\" /> </isotope> <isotope mass-number=\"164\"> <mass value=\"163.929171\" error=\"0.000003\" /> <abundance value=\"0.28260\" error=\"0.00054\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Ho\" atomic-number=\"67\"> <natural-abundance> <mass value=\"164.93032\" error=\"0.00002\" /> <isotope mass-number=\"165\"> <mass value=\"164.930319\" error=\"0.000003\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Er\" atomic-number=\"68\"> <natural-abundance> <mass value=\"167.259\" error=\"0.003\" /> <isotope mass-number=\"162\"> <mass value=\"161.928775\" error=\"0.000004\" /> <abundance value=\"0.00139\" error=\"0.00005\" /> </isotope> <isotope mass-number=\"164\"> <mass value=\"163.929197\" error=\"0.000004\" /> <abundance value=\"0.01601\" error=\"0.00003\" /> </isotope> <isotope mass-number=\"166\"> <mass value=\"165.930290\" error=\"0.000003\" /> <abundance value=\"0.33503\" error=\"0.00036\" /> </isotope> <isotope mass-number=\"167\"> <mass value=\"166.932046\" error=\"0.000003\" /> <abundance value=\"0.22869\" error=\"0.00009\" /> </isotope> <isotope mass-number=\"168\"> <mass value=\"167.932368\" error=\"0.000003\" /> <abundance value=\"0.26978\" error=\"0.00018\" /> </isotope> <isotope mass-number=\"170\"> <mass value=\"169.935461\" error=\"0.000003\" /> <abundance value=\"0.14910\" error=\"0.00036\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Tm\" atomic-number=\"69\"> <natural-abundance> <mass value=\"168.93421\" error=\"0.00002\" /> <isotope mass-number=\"169\"> <mass value=\"168.934211\" error=\"0.000003\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Yb\" atomic-number=\"70\"> <natural-abundance> <mass value=\"173.04\" error=\"0.03\" /> <isotope mass-number=\"168\"> <mass value=\"167.933895\" error=\"0.000005\" /> <abundance value=\"0.0013\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"170\"> <mass value=\"169.934759\" error=\"0.000003\" /> <abundance value=\"0.0304\" error=\"0.0015\" /> </isotope> <isotope mass-number=\"171\"> <mass value=\"170.936323\" error=\"0.000003\" /> <abundance value=\"0.1428\" error=\"0.0057\" /> </isotope> <isotope mass-number=\"172\"> <mass value=\"171.936378\" error=\"0.000003\" /> <abundance value=\"0.2183\" error=\"0.0067\" /> </isotope> <isotope mass-number=\"173\"> <mass value=\"172.938207\" error=\"0.000003\" /> <abundance value=\"0.1613\" error=\"0.0027\" /> </isotope> <isotope mass-number=\"174\"> <mass value=\"173.938858\" error=\"0.000003\" /> <abundance value=\"0.3183\" error=\"0.0092\" /> </isotope> <isotope mass-number=\"176\"> <mass value=\"175.942569\" error=\"0.000003\" /> <abundance value=\"0.1276\" error=\"0.0041\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Lu\" atomic-number=\"71\"> <natural-abundance> <mass value=\"174.967\" error=\"0.001\" /> <isotope mass-number=\"175\"> <mass value=\"174.9407682\" error=\"0.0000028\" /> <abundance value=\"0.9741\" error=\"0.0002\" /> </isotope> <isotope mass-number=\"176\"> <mass value=\"175.9426827\" error=\"0.0000028\" /> <abundance value=\"0.0259\" error=\"0.0002\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Hf\" atomic-number=\"72\"> <natural-abundance> <mass value=\"178.49\" error=\"0.02\" /> <isotope mass-number=\"174\"> <mass value=\"173.940042\" error=\"0.000004\" /> <abundance value=\"0.0016\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"176\"> <mass value=\"175.941403\" error=\"0.000003\" /> <abundance value=\"0.0526\" error=\"0.0007\" /> </isotope> <isotope mass-number=\"177\"> <mass value=\"176.9432204\" error=\"0.0000027\" /> <abundance value=\"0.1860\" error=\"0.0009\" /> </isotope> <isotope mass-number=\"178\"> <mass value=\"177.9436981\" error=\"0.0000027\" /> <abundance value=\"0.2728\" error=\"0.0007\" /> </isotope> <isotope mass-number=\"179\"> <mass value=\"178.9488154\" error=\"0.0000027\" /> <abundance value=\"0.1362\" error=\"0.0002\" /> </isotope> <isotope mass-number=\"180\"> <mass value=\"179.9465488\" error=\"0.0000027\" /> <abundance value=\"0.3508\" error=\"0.0016\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Ta\" atomic-number=\"73\"> <natural-abundance> <mass value=\"180.9479\" error=\"0.0001\" /> <isotope mass-number=\"180\"> <mass value=\"179.947466\" error=\"0.000003\" /> <abundance value=\"0.00012\" error=\"0.00002\" /> </isotope> <isotope mass-number=\"181\"> <mass value=\"180.947996\" error=\"0.000003\" /> <abundance value=\"0.99988\" error=\"0.00002\" /> </isotope> </natural-abundance> </entry><entry symbol=\"W\" atomic-number=\"74\"> <natural-abundance> <mass value=\"183.84\" error=\"0.01\" /> <isotope mass-number=\"180\"> <mass value=\"179.946706\" error=\"0.000005\" /> <abundance value=\"0.0012\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"182\"> <mass value=\"181.948205\" error=\"0.000003\" /> <abundance value=\"0.265\" error=\"0.0016\" /> </isotope> <isotope mass-number=\"183\"> <mass value=\"182.9502242\" error=\"0.0000030\" /> <abundance value=\"0.1431\" error=\"0.0004\" /> </isotope> <isotope mass-number=\"184\"> <mass value=\"183.9509323\" error=\"0.0000030\" /> <abundance value=\"0.3064\" error=\"0.0002\" /> </isotope> <isotope mass-number=\"186\"> <mass value=\"185.954362\" error=\"0.000003\" /> <abundance value=\"0.2843\" error=\"0.0019\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Re\" atomic-number=\"75\"> <natural-abundance> <mass value=\"186.207\" error=\"0.001\" /> <isotope mass-number=\"185\"> <mass value=\"184.952955\" error=\"0.000003\" /> <abundance value=\"0.3740\" error=\"0.0002\" /> </isotope> <isotope mass-number=\"187\"> <mass value=\"186.9557505\" error=\"0.0000030\" /> <abundance value=\"0.6260\" error=\"0.0002\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Os\" atomic-number=\"76\"> <natural-abundance> <mass value=\"190.23\" error=\"0.03\" /> <isotope mass-number=\"184\"> <mass value=\"183.952491\" error=\"0.000003\" /> <abundance value=\"0.0002\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"186\"> <mass value=\"185.953838\" error=\"0.000003\" /> <abundance value=\"0.0159\" error=\"0.0003\" /> </isotope> <isotope mass-number=\"187\"> <mass value=\"186.9557476\" error=\"0.0000030\" /> <abundance value=\"0.0196\" error=\"0.0002\" /> </isotope> <isotope mass-number=\"188\"> <mass value=\"187.9558357\" error=\"0.0000030\" /> <abundance value=\"0.1324\" error=\"0.0008\" /> </isotope> <isotope mass-number=\"189\"> <mass value=\"188.958145\" error=\"0.000003\" /> <abundance value=\"0.1615\" error=\"0.0005\" /> </isotope> <isotope mass-number=\"190\"> <mass value=\"189.958445\" error=\"0.000003\" /> <abundance value=\"0.2626\" error=\"0.0002\" /> </isotope> <isotope mass-number=\"192\"> <mass value=\"191.961479\" error=\"0.000004\" /> <abundance value=\"0.4078\" error=\"0.0019\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Ir\" atomic-number=\"77\"> <natural-abundance> <mass value=\"192.217\" error=\"0.003\" /> <isotope mass-number=\"191\"> <mass value=\"190.960591\" error=\"0.000003\" /> <abundance value=\"0.373\" error=\"0.002\" /> </isotope> <isotope mass-number=\"193\"> <mass value=\"192.962923\" error=\"0.000003\" /> <abundance value=\"0.627\" error=\"0.002\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Pt\" atomic-number=\"78\"> <natural-abundance> <mass value=\"195.078\" error=\"0.002\" /> <isotope mass-number=\"190\"> <mass value=\"189.959930\" error=\"0.000007\" /> <abundance value=\"0.00014\" error=\"0.00001\" /> </isotope> <isotope mass-number=\"192\"> <mass value=\"191.961035\" error=\"0.000004\" /> <abundance value=\"0.00782\" error=\"0.00007\" /> </isotope> <isotope mass-number=\"194\"> <mass value=\"193.962663\" error=\"0.000003\" /> <abundance value=\"0.32967\" error=\"0.00099\" /> </isotope> <isotope mass-number=\"195\"> <mass value=\"194.964774\" error=\"0.000003\" /> <abundance value=\"0.33832\" error=\"0.00010\" /> </isotope> <isotope mass-number=\"196\"> <mass value=\"195.964934\" error=\"0.000003\" /> <abundance value=\"0.25242\" error=\"0.00041\" /> </isotope> <isotope mass-number=\"198\"> <mass value=\"197.967875\" error=\"0.000005\" /> <abundance value=\"0.07163\" error=\"0.00055\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Au\" atomic-number=\"79\"> <natural-abundance> <mass value=\"196.96655\" error=\"0.00002\" /> <isotope mass-number=\"197\"> <mass value=\"196.966551\" error=\"0.000003\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Hg\" atomic-number=\"80\"> <natural-abundance> <mass value=\"200.59\" error=\"0.02\" /> <isotope mass-number=\"196\"> <mass value=\"195.965814\" error=\"0.000004\" /> <abundance value=\"0.0015\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"198\"> <mass value=\"197.966752\" error=\"0.000003\" /> <abundance value=\"0.0997\" error=\"0.0020\" /> </isotope> <isotope mass-number=\"199\"> <mass value=\"198.968262\" error=\"0.000003\" /> <abundance value=\"0.1687\" error=\"0.0022\" /> </isotope> <isotope mass-number=\"200\"> <mass value=\"199.968309\" error=\"0.000003\" /> <abundance value=\"0.2310\" error=\"0.0019\" /> </isotope> <isotope mass-number=\"201\"> <mass value=\"200.970285\" error=\"0.000003\" /> <abundance value=\"0.1318\" error=\"0.0009\" /> </isotope> <isotope mass-number=\"202\"> <mass value=\"201.970625\" error=\"0.000003\" /> <abundance value=\"0.2986\" error=\"0.0026\" /> </isotope> <isotope mass-number=\"204\"> <mass value=\"203.973475\" error=\"0.000003\" /> <abundance value=\"0.0687\" error=\"0.0015\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Tl\" atomic-number=\"81\"> <natural-abundance> <mass value=\"204.3833\" error=\"0.0002\" /> <isotope mass-number=\"203\"> <mass value=\"202.972329\" error=\"0.000003\" /> <abundance value=\"0.2952\" error=\"0.0001\" /> </isotope> <isotope mass-number=\"205\"> <mass value=\"204.974412\" error=\"0.000003\" /> <abundance value=\"0.7048\" error=\"0.0001\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Pb\" atomic-number=\"82\"> <natural-abundance> <mass value=\"207.2\" error=\"0.1\" /> <isotope mass-number=\"204\"> <mass value=\"203.973028\" error=\"0.000003\" /> <abundance value=\"0.014\" error=\"0.001\" /> </isotope> <isotope mass-number=\"206\"> <mass value=\"205.974449\" error=\"0.000003\" /> <abundance value=\"0.241\" error=\"0.001\" /> </isotope> <isotope mass-number=\"207\"> <mass value=\"206.975880\" error=\"0.000003\" /> <abundance value=\"0.221\" error=\"0.001\" /> </isotope> <isotope mass-number=\"208\"> <mass value=\"207.976636\" error=\"0.000003\" /> <abundance value=\"0.524\" error=\"0.001\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Bi\" atomic-number=\"83\"> <natural-abundance> <mass value=\"208.98038\" error=\"0.00002\" /> <isotope mass-number=\"209\"> <mass value=\"208.980384\" error=\"0.000003\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Th\" atomic-number=\"90\"> <natural-abundance> <mass value=\"232.0381\" error=\"0.0001\" /> <isotope mass-number=\"232\"> <mass value=\"232.0380495\" error=\"0.0000022\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"Pa\" atomic-number=\"91\"> <natural-abundance> <mass value=\"231.03588\" error=\"0.00002\" /> <isotope mass-number=\"231\"> <mass value=\"231.03588\" error=\"0.00002\" /> <abundance value=\"1\" error=\"0\" /> </isotope> </natural-abundance> </entry><entry symbol=\"U\" atomic-number=\"92\"> <natural-abundance> <mass value=\"238.02891\" error=\"0.00003\" /> <isotope mass-number=\"234\"> <mass value=\"234.0409447\" error=\"0.0000022\" /> <abundance value=\"0.000054\" error=\"0.000005\" /> </isotope> <isotope mass-number=\"235\"> <mass value=\"235.0439222\" error=\"0.0000021\" /> <abundance value=\"0.007204\" error=\"0.000006\" /> </isotope> <isotope mass-number=\"238\"> <mass value=\"238.0507835\" error=\"0.0000022\" /> <abundance value=\"0.992742\" error=\"0.000010\" /> </isotope> </natural-abundance> </entry></atomic-mass-table>";
try {
// this.document = DocumentBuilderFactory.newInstance().newDocumentBuilder().parse(in);
this.document = XMLParser.parse(xmlContent);
} catch (Exception e) {
throw new RuntimeException("Error reading atomic_system.xml.");
}
NodeList nodes = document.getElementsByTagName("entry");
for (int i = 0; i < nodes.getLength(); i++) {
Node node = nodes.item(i);
String symbol = node.getAttributes().getNamedItem("symbol").getNodeValue();
entries.put(symbol, new Entry(node));
}
}
private Entry getEntry(String symbol) {
Entry entry = entries.get(symbol);
if (entry == null) {
throw new IllegalArgumentException("No such element: " + symbol);
}
return entry;
}
private Measurement createMeasurement(Node node, String units) {
double value = Double.parseDouble(node.getAttributes().getNamedItem("value").getNodeValue());
double error = Double.parseDouble(node.getAttributes().getNamedItem("error").getNodeValue());
return new DefaultMeasurement(value, error, units);
}
private class Entry {
private int atomicNumber;
private List<Isotope> isotopes;
private Measurement averageMass;
private Entry(Node node) {
this.atomicNumber = Integer.parseInt(node.getAttributes().getNamedItem("atomic-number").getNodeValue());
this.isotopes = new ArrayList<Isotope>();
parseEntry(node);
}
public List<Isotope> getIsotopes() {
return isotopes;
}
public Isotope getIsotope(int massNumber) {
for (Isotope isotope : isotopes) {
if (isotope.getMassNumber() == massNumber) {
return isotope;
}
}
throw new IllegalArgumentException("No such isotope: " + atomicNumber + "-" + massNumber);
}
public Measurement getAverageMass() {
return averageMass;
}
private void parseEntry(Node entry) {
Node abundance = findNaturalAbundance(entry);
NodeList children = abundance.getChildNodes();
for (int i = 0; i < children.getLength(); i++) {
Node test = children.item(i);
if ("isotope".equals(test.getNodeName())) {
IsotopeImpl isotope = new IsotopeImpl(test);
isotopes.add(isotope);
}
if ("mass".equals(test.getNodeName())) {
recordMass(test);
}
}
}
private void recordMass(Node mass) {
this.averageMass = createMeasurement(mass, "u");
}
private Node findNaturalAbundance(Node entry) {
NodeList children = entry.getChildNodes();
for (int i = 0; i < children.getLength(); i++) {
Node test = children.item(i);
if ("natural-abundance".equals(test.getNodeName())) {
return test;
}
}
return null;
}
}
private class IsotopeImpl implements Isotope {
private int massNumber;
private Measurement abundance;
private Measurement mass;
private IsotopeImpl(Node isotopeNode) {
this.massNumber = Integer.parseInt(isotopeNode.getAttributes().getNamedItem("mass-number").getNodeValue());
parseNode(isotopeNode);
}
public int getMassNumber() {
return massNumber;
}
public Measurement getAbundance() {
return abundance;
}
public Measurement getMass() {
return mass;
}
private void parseNode(Node isotope) {
NodeList children = isotope.getChildNodes();
for (int i = 0; i < children.getLength(); i++) {
Node child = children.item(i);
if ("mass".equals(child.getNodeName())) {
this.mass = createMeasurement(child, "u");
}
if ("abundance".equals(child.getNodeName())) {
this.abundance = createMeasurement(child, "percent");
}
}
}
}
}