\renewcommand{\sectitle}{The ``basic'' Atom Definition File} \section*{\sectitle} \addcontentsline{toc}{section}{\numberline{}\sectitle} \begin{verbatim} <?xml version="1.0" encoding="UTF-8" standalone="yes"?> <!-- DTD for atom definitions, used by the 'GNU polyxmass' suite of mass spectrometry applications. Copyright 2003, 2004 Filippo Rusconi - Licensed under the GNU GPL --> <!DOCTYPE atomdefdata [ <!ELEMENT atomdefdata (atom+)> <!ELEMENT atom (name,symbol,isotope+)> <!ELEMENT name (#PCDATA)> <!ELEMENT symbol (#PCDATA)> <!ELEMENT isotope (mass , abund)> <!ELEMENT mass (#PCDATA)> <!ELEMENT abund (#PCDATA)> ]> <atomdefdata> <atom> <name>Hydrogen</name> <symbol>H</symbol> <isotope> <mass>1.0078250370</mass> <abund>99.9885000000</abund> </isotope> <isotope> <mass>2.0141017870</mass> <abund>0.0115000000</abund> </isotope> </atom> <atom> <name>Helium</name> <symbol>He</symbol> <isotope> <mass>4.0026032500</mass> <abund>99.9998600000</abund> </isotope> <isotope> <mass>3.0160292970</mass> <abund>0.0001400000</abund> </isotope> </atom> <atom> <name>Lithium</name> <symbol>Li</symbol> <isotope> <mass>7.0160045000</mass> <abund>92.4100000000</abund> </isotope> <isotope> <mass>6.0151232000</mass> <abund>7.5900000000</abund> </isotope> </atom> <atom> <name>Beryllium</name> <symbol>Be</symbol> <isotope> <mass>9.0121825000</mass> <abund>100.0000000000</abund> </isotope> </atom> <atom> <name>Bore</name> <symbol>B</symbol> <isotope> <mass>11.0093053000</mass> <abund>80.1000000000</abund> </isotope> <isotope> <mass>10.0129380000</mass> <abund>19.9000000000</abund> </isotope> </atom> <atom> <name>Carbon</name> <symbol>C</symbol> <isotope> <mass>12.0000000000</mass> <abund>98.9300000000</abund> </isotope> <isotope> <mass>13.0033548390</mass> <abund>1.0700000000</abund> </isotope> </atom> <atom> <name>Nitrogen</name> <symbol>N</symbol> <isotope> <mass>14.0030740080</mass> <abund>99.6320000000</abund> </isotope> <isotope> <mass>15.0001089780</mass> <abund>0.3680000000</abund> </isotope> </atom> <atom> <name>Oxygen</name> <symbol>O</symbol> <isotope> <mass>15.9949146400</mass> <abund>99.7570000000</abund> </isotope> <isotope> <mass>16.9991306000</mass> <abund>0.0380000000</abund> </isotope> <isotope> <mass>17.9991593900</mass> <abund>0.2050000000</abund> </isotope> </atom> <atom> <name>Fluorine</name> <symbol>F</symbol> <isotope> <mass>18.9984032500</mass> <abund>100.0000000000</abund> </isotope> </atom> <atom> <name>Neon</name> <symbol>Ne</symbol> <isotope> <mass>19.9924391000</mass> <abund>90.4800000000</abund> </isotope> <isotope> <mass>20.9938453000</mass> <abund>0.2700000000</abund> </isotope> <isotope> <mass>21.9913837000</mass> <abund>9.2500000000</abund> </isotope> </atom> <atom> <name>Sodium</name> <symbol>Na</symbol> <isotope> <mass>22.9897697000</mass> <abund>100.0000000000</abund> </isotope> </atom> <atom> <name>Magnesium</name> <symbol>Mg</symbol> <isotope> <mass>23.9850450000</mass> <abund>78.9900000000</abund> </isotope> <isotope> <mass>24.9858392000</mass> <abund>10.0000000000</abund> </isotope> <isotope> <mass>25.9825954000</mass> <abund>11.0100000000</abund> </isotope> </atom> <atom> <name>Aluminium</name> <symbol>Al</symbol> <isotope> <mass>26.9815413000</mass> <abund>100.0000000000</abund> </isotope> </atom> <atom> <name>Silicon</name> <symbol>Si</symbol> <isotope> <mass>27.9769284000</mass> <abund>92.2297000000</abund> </isotope> <isotope> <mass>28.9764964000</mass> <abund>4.6832000000</abund> </isotope> <isotope> <mass>29.9737717000</mass> <abund>3.0872000000</abund> </isotope> </atom> <atom> <name>Phosphorus</name> <symbol>P</symbol> <isotope> <mass>30.9737634000</mass> <abund>100.0000000000</abund> </isotope> </atom> <atom> <name>Sulfur</name> <symbol>S</symbol> <isotope> <mass>31.9720718000</mass> <abund>94.9300000000</abund> </isotope> <isotope> <mass>32.9714591000</mass> <abund>0.7600000000</abund> </isotope> <isotope> <mass>33.9678677400</mass> <abund>4.2900000000</abund> </isotope> <isotope> <mass>35.9670790000</mass> <abund>0.0200000000</abund> </isotope> </atom> <atom> <name>Chlorine</name> <symbol>Cl</symbol> <isotope> <mass>34.9688527290</mass> <abund>75.7800000000</abund> </isotope> <isotope> <mass>36.9659026240</mass> <abund>24.2200000000</abund> </isotope> </atom> <atom> <name>Argon</name> <symbol>Ar</symbol> <isotope> <mass>35.9675456050</mass> <abund>0.3365000000</abund> </isotope> <isotope> <mass>37.9627322000</mass> <abund>0.0632000000</abund> </isotope> <isotope> <mass>39.9623831000</mass> <abund>99.6003000000</abund> </isotope> </atom> <atom> <name>Potassium</name> <symbol>K</symbol> <isotope> <mass>38.9637079000</mass> <abund>93.2581000000</abund> </isotope> <isotope> <mass>39.9639988000</mass> <abund>0.0117000000</abund> </isotope> <isotope> <mass>40.9618254000</mass> <abund>6.7302000000</abund> </isotope> </atom> <atom> <name>Calcium</name> <symbol>Ca</symbol> <isotope> <mass>39.9625907000</mass> <abund>96.9410000000</abund> </isotope> <isotope> <mass>41.9586218000</mass> <abund>0.6470000000</abund> </isotope> <isotope> <mass>42.9587704000</mass> <abund>0.1350000000</abund> </isotope> <isotope> <mass>43.9554848000</mass> <abund>2.0860000000</abund> </isotope> <isotope> <mass>45.9536890000</mass> <abund>0.0040000000</abund> </isotope> <isotope> <mass>47.9525320000</mass> <abund>0.1870000000</abund> </isotope> </atom> <atom> <name>Scandium</name> <symbol>Sc</symbol> <isotope> <mass>44.9559136000</mass> <abund>100.0000000000</abund> </isotope> </atom> <atom> <name>Titanium</name> <symbol>Ti</symbol> <isotope> <mass>45.9526327000</mass> <abund>8.2500000000</abund> </isotope> <isotope> <mass>46.9517649000</mass> <abund>7.4400000000</abund> </isotope> <isotope> <mass>47.9479467000</mass> <abund>73.7200000000</abund> </isotope> <isotope> <mass>48.9478705000</mass> <abund>5.4100000000</abund> </isotope> <isotope> <mass>49.9447858000</mass> <abund>5.1800000000</abund> </isotope> </atom> <atom> <name>Vanadium</name> <symbol>V</symbol> <isotope> <mass>49.9471613000</mass> <abund>0.2500000000</abund> </isotope> <isotope> <mass>50.9439625000</mass> <abund>99.7500000000</abund> </isotope> </atom> <atom> <name>Chromium</name> <symbol>Cr</symbol> <isotope> <mass>49.9464630000</mass> <abund>4.3450000000</abund> </isotope> <isotope> <mass>51.9405097000</mass> <abund>83.7890000000</abund> </isotope> <isotope> <mass>52.9406510000</mass> <abund>9.5010000000</abund> </isotope> <isotope> <mass>53.9388822000</mass> <abund>2.3650000000</abund> </isotope> </atom> <atom> <name>Manganese</name> <symbol>Mn</symbol> <isotope> <mass>54.9380463000</mass> <abund>100.0000000000</abund> </isotope> </atom> <atom> <name>Iron</name> <symbol>Fe</symbol> <isotope> <mass>53.9396121000</mass> <abund>5.8450000000</abund> </isotope> <isotope> <mass>55.9349393000</mass> <abund>91.7540000000</abund> </isotope> <isotope> <mass>56.9353957000</mass> <abund>2.1190000000</abund> </isotope> <isotope> <mass>57.9332778000</mass> <abund>0.2820000000</abund> </isotope> </atom> <atom> <name>Cobalt</name> <symbol>Co</symbol> <isotope> <mass>58.9331978000</mass> <abund>100.0000000000</abund> </isotope> </atom> <atom> <name>Nickel</name> <symbol>Ni</symbol> <isotope> <mass>57.9353471000</mass> <abund>68.0769000000</abund> </isotope> <isotope> <mass>59.9307890000</mass> <abund>26.2231000000</abund> </isotope> <isotope> <mass>60.9310586000</mass> <abund>1.1399000000</abund> </isotope> <isotope> <mass>61.9283464000</mass> <abund>3.6345000000</abund> </isotope> <isotope> <mass>63.9279680000</mass> <abund>0.9256000000</abund> </isotope> </atom> <atom> <name>Copper</name> <symbol>Cu</symbol> <isotope> <mass>62.9295992000</mass> <abund>69.1700000000</abund> </isotope> <isotope> <mass>64.9277924000</mass> <abund>30.8300000000</abund> </isotope> </atom> <atom> <name>Zinc</name> <symbol>Zn</symbol> <isotope> <mass>63.9291454000</mass> <abund>48.6300000000</abund> </isotope> <isotope> <mass>65.9260352000</mass> <abund>27.9000000000</abund> </isotope> <isotope> <mass>66.9271289000</mass> <abund>4.1000000000</abund> </isotope> <isotope> <mass>67.9248458000</mass> <abund>18.7500000000</abund> </isotope> <isotope> <mass>69.9253249000</mass> <abund>0.6200000000</abund> </isotope> </atom> <atom> <name>Gallium</name> <symbol>Ga</symbol> <isotope> <mass>68.9255809000</mass> <abund>60.1080000000</abund> </isotope> <isotope> <mass>70.9247006000</mass> <abund>39.8920000000</abund> </isotope> </atom> <atom> <name>Germanium</name> <symbol>Ge</symbol> <isotope> <mass>69.9242498000</mass> <abund>20.8400000000</abund> </isotope> <isotope> <mass>71.9220800000</mass> <abund>27.5400000000</abund> </isotope> <isotope> <mass>72.9234639000</mass> <abund>7.7300000000</abund> </isotope> <isotope> <mass>73.9211788000</mass> <abund>36.2800000000</abund> </isotope> <isotope> <mass>75.9214027000</mass> <abund>7.6100000000</abund> </isotope> </atom> <atom> <name>Arsenic</name> <symbol>As</symbol> <isotope> <mass>74.9215955000</mass> <abund>100.0000000000</abund> </isotope> </atom> <atom> <name>Selenium</name> <symbol>Se</symbol> <isotope> <mass>73.9224771000</mass> <abund>0.8900000000</abund> </isotope> <isotope> <mass>75.9192066000</mass> <abund>9.3700000000</abund> </isotope> <isotope> <mass>76.9199077000</mass> <abund>7.6300000000</abund> </isotope> <isotope> <mass>77.9173040000</mass> <abund>23.7700000000</abund> </isotope> <isotope> <mass>79.9165205000</mass> <abund>49.6100000000</abund> </isotope> <isotope> <mass>81.9167090000</mass> <abund>8.7300000000</abund> </isotope> </atom> <atom> <name>Bromine</name> <symbol>Br</symbol> <isotope> <mass>78.9183361000</mass> <abund>50.6900000000</abund> </isotope> <isotope> <mass>80.9162900000</mass> <abund>49.3100000000</abund> </isotope> </atom> <atom> <name>Krypton</name> <symbol>Kr</symbol> <isotope> <mass>77.9203970000</mass> <abund>0.3500000000</abund> </isotope> <isotope> <mass>79.9163750000</mass> <abund>2.2800000000</abund> </isotope> <isotope> <mass>81.9134830000</mass> <abund>11.5800000000</abund> </isotope> <isotope> <mass>82.9141340000</mass> <abund>11.4900000000</abund> </isotope> <isotope> <mass>83.9115064000</mass> <abund>57.0000000000</abund> </isotope> <isotope> <mass>85.9106140000</mass> <abund>17.3000000000</abund> </isotope> </atom> <atom> <name>Rubidium</name> <symbol>Rb</symbol> <isotope> <mass>84.9117996000</mass> <abund>72.1700000000</abund> </isotope> <isotope> <mass>86.9091836000</mass> <abund>27.8300000000</abund> </isotope> </atom> <atom> <name>Strontium</name> <symbol>Sr</symbol> <isotope> <mass>83.9134280000</mass> <abund>0.5600000000</abund> </isotope> <isotope> <mass>85.9092732000</mass> <abund>9.8600000000</abund> </isotope> <isotope> <mass>86.9088902000</mass> <abund>7.0000000000</abund> </isotope> <isotope> <mass>87.9056249000</mass> <abund>82.5800000000</abund> </isotope> </atom> <atom> <name>Yttrium</name> <symbol>Y</symbol> <isotope> <mass>88.9058560000</mass> <abund>100.0000000000</abund> </isotope> </atom> <atom> <name>Zirconium</name> <symbol>Zr</symbol> <isotope> <mass>89.9047080000</mass> <abund>51.4500000000</abund> </isotope> <isotope> <mass>90.9056442000</mass> <abund>11.2200000000</abund> </isotope> <isotope> <mass>91.9050392000</mass> <abund>17.1500000000</abund> </isotope> <isotope> <mass>93.9063191000</mass> <abund>17.3800000000</abund> </isotope> <isotope> <mass>95.9082720000</mass> <abund>2.8000000000</abund> </isotope> </atom> <atom> <name>Niobium</name> <symbol>Nb</symbol> <isotope> <mass>92.9063780000</mass> <abund>100.0000000000</abund> </isotope> </atom> <atom> <name>Molybdenum</name> <symbol>Mo</symbol> <isotope> <mass>91.9068090000</mass> <abund>14.8400000000</abund> </isotope> <isotope> <mass>93.9050862000</mass> <abund>9.2500000000</abund> </isotope> <isotope> <mass>94.9058379000</mass> <abund>15.9200000000</abund> </isotope> <isotope> <mass>95.9046755000</mass> <abund>16.6800000000</abund> </isotope> <isotope> <mass>96.9060179000</mass> <abund>9.5500000000</abund> </isotope> <isotope> <mass>97.9054050000</mass> <abund>24.1300000000</abund> </isotope> <isotope> <mass>99.9074730000</mass> <abund>9.6300000000</abund> </isotope> </atom> <atom> <name>Rutenium</name> <symbol>Ru</symbol> <isotope> <mass>95.9075960000</mass> <abund>5.5400000000</abund> </isotope> <isotope> <mass>97.9052870000</mass> <abund>1.8700000000</abund> </isotope> <isotope> <mass>98.9059371000</mass> <abund>12.7600000000</abund> </isotope> <isotope> <mass>99.9042175000</mass> <abund>12.6000000000</abund> </isotope> <isotope> <mass>100.9055808000</mass> <abund>17.0600000000</abund> </isotope> <isotope> <mass>101.9043475000</mass> <abund>31.5500000000</abund> </isotope> <isotope> <mass>103.9054220000</mass> <abund>18.6200000000</abund> </isotope> </atom> <atom> <name>Rhodium</name> <symbol>Rh</symbol> <isotope> <mass>102.9055030000</mass> <abund>100.0000000000</abund> </isotope> </atom> <atom> <name>Palladium</name> <symbol>Pd</symbol> <isotope> <mass>101.9056090000</mass> <abund>1.0200000000</abund> </isotope> <isotope> <mass>103.9040260000</mass> <abund>11.1400000000</abund> </isotope> <isotope> <mass>104.9050750000</mass> <abund>22.3300000000</abund> </isotope> <isotope> <mass>105.9034750000</mass> <abund>27.3300000000</abund> </isotope> <isotope> <mass>107.9038940000</mass> <abund>26.4600000000</abund> </isotope> <isotope> <mass>109.9051690000</mass> <abund>11.7200000000</abund> </isotope> </atom> <atom> <name>Silver</name> <symbol>Ag</symbol> <isotope> <mass>106.9050950000</mass> <abund>51.8390000000</abund> </isotope> <isotope> <mass>108.9047540000</mass> <abund>48.1610000000</abund> </isotope> </atom> <atom> <name>Cadmium</name> <symbol>Cd</symbol> <isotope> <mass>105.9064610000</mass> <abund>1.2500000000</abund> </isotope> <isotope> <mass>107.9041860000</mass> <abund>0.8900000000</abund> </isotope> <isotope> <mass>109.9030007000</mass> <abund>12.4900000000</abund> </isotope> <isotope> <mass>110.9041820000</mass> <abund>12.8000000000</abund> </isotope> <isotope> <mass>111.9027614000</mass> <abund>24.1300000000</abund> </isotope> <isotope> <mass>112.9044013000</mass> <abund>12.2200000000</abund> </isotope> <isotope> <mass>113.9033607000</mass> <abund>28.7300000000</abund> </isotope> <isotope> <mass>115.9047580000</mass> <abund>7.4900000000</abund> </isotope> </atom> <atom> <name>Indium</name> <symbol>In</symbol> <isotope> <mass>112.9040560000</mass> <abund>4.2900000000</abund> </isotope> <isotope> <mass>114.9038750000</mass> <abund>95.7100000000</abund> </isotope> </atom> <atom> <name>Tin</name> <symbol>Sn</symbol> <isotope> <mass>111.9048230000</mass> <abund>0.9700000000</abund> </isotope> <isotope> <mass>113.9027810000</mass> <abund>0.6600000000</abund> </isotope> <isotope> <mass>114.9033441000</mass> <abund>0.3400000000</abund> </isotope> <isotope> <mass>115.9017435000</mass> <abund>14.5400000000</abund> </isotope> <isotope> <mass>116.9029536000</mass> <abund>7.6800000000</abund> </isotope> <isotope> <mass>117.9016066000</mass> <abund>24.2200000000</abund> </isotope> <isotope> <mass>118.9033102000</mass> <abund>8.5900000000</abund> </isotope> <isotope> <mass>119.9021990000</mass> <abund>32.5800000000</abund> </isotope> <isotope> <mass>121.9034400000</mass> <abund>4.6300000000</abund> </isotope> <isotope> <mass>123.9052710000</mass> <abund>5.7900000000</abund> </isotope> </atom> <atom> <name>Antimony</name> <symbol>Sb</symbol> <isotope> <mass>120.9038237000</mass> <abund>57.2100000000</abund> </isotope> <isotope> <mass>122.9042220000</mass> <abund>42.7900000000</abund> </isotope> </atom> <atom> <name>Tellurium</name> <symbol>Te</symbol> <isotope> <mass>119.9040210000</mass> <abund>0.0900000000</abund> </isotope> <isotope> <mass>121.9030550000</mass> <abund>2.5500000000</abund> </isotope> <isotope> <mass>122.9042780000</mass> <abund>0.8900000000</abund> </isotope> <isotope> <mass>123.9028250000</mass> <abund>4.7400000000</abund> </isotope> <isotope> <mass>124.9044350000</mass> <abund>7.0700000000</abund> </isotope> <isotope> <mass>125.9033100000</mass> <abund>18.8400000000</abund> </isotope> <isotope> <mass>127.9044640000</mass> <abund>31.7400000000</abund> </isotope> <isotope> <mass>129.9062290000</mass> <abund>34.0800000000</abund> </isotope> </atom> <atom> <name>Iodine</name> <symbol>I</symbol> <isotope> <mass>126.9044770000</mass> <abund>100.0000000000</abund> </isotope> </atom> <atom> <name>Xenon</name> <symbol>Xe</symbol> <isotope> <mass>123.9061200000</mass> <abund>0.0900000000</abund> </isotope> <isotope> <mass>125.9042810000</mass> <abund>0.0900000000</abund> </isotope> <isotope> <mass>127.9035308000</mass> <abund>1.9200000000</abund> </isotope> <isotope> <mass>128.9047801000</mass> <abund>26.4400000000</abund> </isotope> <isotope> <mass>129.9035095000</mass> <abund>4.0800000000</abund> </isotope> <isotope> <mass>130.9050760000</mass> <abund>21.1800000000</abund> </isotope> <isotope> <mass>131.9041480000</mass> <abund>26.8900000000</abund> </isotope> <isotope> <mass>133.9053950000</mass> <abund>10.4400000000</abund> </isotope> <isotope> <mass>135.9072190000</mass> <abund>8.8700000000</abund> </isotope> </atom> <atom> <name>Caesium</name> <symbol>Cs</symbol> <isotope> <mass>132.9054330000</mass> <abund>100.0000000000</abund> </isotope> </atom> <atom> <name>Barium</name> <symbol>Ba</symbol> <isotope> <mass>129.9062770000</mass> <abund>0.1060000000</abund> </isotope> <isotope> <mass>131.9050420000</mass> <abund>0.1010000000</abund> </isotope> <isotope> <mass>133.9044900000</mass> <abund>2.4170000000</abund> </isotope> <isotope> <mass>134.9056680000</mass> <abund>6.5920000000</abund> </isotope> <isotope> <mass>135.9045560000</mass> <abund>7.8540000000</abund> </isotope> <isotope> <mass>136.9058160000</mass> <abund>11.2320000000</abund> </isotope> <isotope> <mass>137.9052360000</mass> <abund>71.6980000000</abund> </isotope> </atom> <atom> <name>Lanthanium</name> <symbol>La</symbol> <isotope> <mass>137.9071140000</mass> <abund>0.0900000000</abund> </isotope> <isotope> <mass>138.9063550000</mass> <abund>99.9100000000</abund> </isotope> </atom> <atom> <name>Gold</name> <symbol>Au</symbol> <isotope> <mass>196.9665600000</mass> <abund>100.0000000000</abund> </isotope> </atom> <atom> <name>Mercury</name> <symbol>Hg</symbol> <isotope> <mass>195.9658120000</mass> <abund>0.1500000000</abund> </isotope> <isotope> <mass>197.9667600000</mass> <abund>9.9700000000</abund> </isotope> <isotope> <mass>198.9682690000</mass> <abund>16.8700000000</abund> </isotope> <isotope> <mass>199.9683160000</mass> <abund>23.1000000000</abund> </isotope> <isotope> <mass>200.9702930000</mass> <abund>13.1800000000</abund> </isotope> <isotope> <mass>201.9706320000</mass> <abund>29.8600000000</abund> </isotope> <isotope> <mass>203.9734810000</mass> <abund>6.8700000000</abund> </isotope> </atom> <atom> <name>Lead</name> <symbol>Pb</symbol> <isotope> <mass>203.9730370000</mass> <abund>1.4000000000</abund> </isotope> <isotope> <mass>205.9744550000</mass> <abund>24.1000000000</abund> </isotope> <isotope> <mass>206.9758850000</mass> <abund>22.1000000000</abund> </isotope> <isotope> <mass>207.9766410000</mass> <abund>52.4000000000</abund> </isotope> </atom> </atomdefdata> \end{verbatim} %%% Local 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