Mercurial > repos > rnateam > mea
annotate mea.xml @ 2:34fc6f78ed7c draft
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author | rnateam |
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date | Wed, 01 Jul 2015 10:13:10 -0400 |
parents | a041bcbb77fc |
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1 <tool id="mea" name="MEA" version="0.6.4.0"> |
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2 <description>Predict maximum expected accuracy secondary structures |
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3 of RNAs and compare RNA secondary structures</description> |
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4 |
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5 <requirements> |
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6 <requirement type="package" version="2.22.6" >gengetopt</requirement> |
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7 <requirement type="package" version="0.6.4" >mea</requirement> |
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8 </requirements> |
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9 |
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10 <stdio> |
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11 <exit_code range="1:" /> |
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12 </stdio> |
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13 |
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14 <command><![CDATA[ |
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15 mea |
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16 #if str($mode.mode_selector) == "predict" |
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17 $mode.dotplot |
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18 #else |
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19 --structure `cat $mode.structure` |
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20 #end if |
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21 #if str($reference) != "" |
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22 --reference `cat $reference` |
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23 #end if |
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24 --alpha $mode.alpha |
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25 --beta $mode.beta |
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26 --gamma $mode.gamma |
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27 --delta $mode.delta |
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28 $slide_rule |
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29 $conflict_rule |
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30 > $stdout |
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31 ]]></command> |
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32 |
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33 <inputs> |
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34 <conditional name="mode"> |
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35 <param name="mode_selector" type="select" label="Working Mode"> |
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36 <option value="predict">Predict</option> |
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37 <option value="compare">Compare</option> |
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38 </param> |
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39 <when value="predict"> |
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40 <param name="dotplot" type="data" format="rna_eps" label="Dotplot" |
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41 optional="false" help="Dotplot file (RNA base pair probabilities)"/> |
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42 <param name="alpha" label="Alpha" type="float" |
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43 optional="false" value="0.012" |
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44 help="Slope of base pair distance penalty"/> |
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45 <param name="beta" label="Beta" type="float" |
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46 optional="false" value="315" |
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47 help="Turning point of base pair distance penalty" /> |
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48 <param name="gamma" label="Gamma" type="float" |
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49 optional="false" value="0.5" |
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50 help="Base pair weight factor" /> |
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51 <param name="delta" label="Delta" type="float" |
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52 optional="false" value="0.003" |
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53 help="Minimum penalty factor for base pairs" /> |
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54 </when> |
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55 <when value="compare"> |
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56 <param name="structure" format="txt" type="data" label="Structure" |
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57 optional="false" help="(Predicted) RNA secondary structure" /> |
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58 </when> |
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59 </conditional> |
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60 |
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61 <param name="reference" format="txt" type="data" label="Reference" /> |
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62 |
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63 <param name="slide_rule" label="Slide Rule" type="boolean" |
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64 optional="false" |
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65 checked="yes" |
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66 falsevalue="--no-slide-rule" truevalue="" |
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67 help="Use slide rule" /> |
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68 <param name="conflict_rule" label="Conflict Rule" type="boolean" |
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69 optional="false" |
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70 checked="yes" |
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71 falsevalue="--no-conflict-rule" truevalue="" |
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72 help="Use onflict rule"/> |
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73 </inputs> |
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74 |
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75 <outputs> |
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76 <data format="txt" name="stdout" label="${tool.name} on ${on_string}" /> |
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77 </outputs> |
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78 |
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79 <tests> |
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80 <test> |
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81 <param name="alpha" |
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82 value="0.012" /> |
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83 <param name="beta" |
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84 value="315" /> |
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85 <param name="gamma" |
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86 value="0.5" /> |
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87 <param name="delta" |
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88 value="0.003" /> |
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89 <param name="slide-rule" checked="yes" /> |
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90 <param name="conflict-rule" checked="yes" /> |
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91 |
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92 <param name="mode_selector" value="predict" /> |
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93 <param name="reference" value="test_reference.txt" /> |
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94 |
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95 <param name="dotplot" value="test_dp.ps" /> |
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96 |
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97 <output name="stdout" file="test_predict.out" /> |
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98 </test> |
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99 |
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100 <test> |
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101 <param name="mode_selector" value="compare" /> |
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102 <param name="structure" value="test_structure.txt" /> |
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103 <param name="reference" value="test_reference.txt" /> |
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104 <param name="slide-rule" checked="yes" /> |
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105 <param name="conflict-rule" checked="yes" /> |
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106 |
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107 <output name="stdout" file="test_compare.out" /> |
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108 </test> |
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109 </tests> |
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110 |
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111 |
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112 <help><![CDATA[ |
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113 === |
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114 MEA |
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115 === |
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116 |
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117 MEA predicts RNA maximum expected accuracy structures from RNA base |
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118 pair probabilities and optionally compares them to a reference |
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119 structure. In a special mode it skips the prediction and compares a |
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120 given structure to the reference. For the prediction, MEA allows to |
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121 penalize long base pairs, using parameters alpha, beta, gamma, and |
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122 delta. For the comparison of secondary structures, several measures |
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123 are computed from the confusion matrix of the RNA base pairs. |
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124 |
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125 ------ |
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126 Inputs |
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127 ------ |
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128 |
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129 The tool accepts dot plot files as generated by RNAfold -p. |
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130 |
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131 For (predicted) structure and reference, the tool accepts |
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132 dot-bracket structures with pseudoknots (supporting bracket pairs |
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133 (),{},[],<>,Aa,Bb,...) |
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134 |
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135 ------- |
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136 Outputs |
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137 ------- |
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138 |
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139 If predicting a structure, the tool outputs the sequence and the |
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140 predicted dot bracket strucuture with computed score in parenthesis |
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141 following the structure. This mimicks the output of the Vienna |
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142 tools. |
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143 |
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144 The result of structure comparison is reported as a line of numbers |
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145 |
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146 TP FP FN TN SENS PPV F1 MCC |
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147 |
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148 where |
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149 |
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150 * TP = # true positives |
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151 |
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152 * FP = # false positives |
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153 |
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154 * FN = # false negatives |
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155 |
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156 * TN = # true negatives |
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157 |
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158 * SENS = TP/(TP+FN) 'Sensitivity' |
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159 |
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160 * PPV = TP/(TP+FP) 'Positive Predictive Value' |
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161 |
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162 * F1 = PPV*SENS / (PPV+SENS), if PPV+SENS!=0; 0, otherwise 'F1-score' |
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163 |
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164 * MCC = (TP*TN - FP*FN) / sqrt( (TP+FP)*(TP+FN)*(TN+FP)*(TN+FN) ) 'Mathews correlation coefficient' |
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165 |
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166 |
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167 Special rules for prediction evaluation: |
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168 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ |
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169 |
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170 * Slide rule: tolerate shift of one base pair end by one base. This |
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171 rule directly affects the number of true positives. |
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172 |
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173 * Conflict rule: predicted base pairs are false only if they |
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174 conflict with the reference; two base pair conflict if and only if |
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175 they share one end This rule directly affects the number of false |
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176 positives. |
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177 |
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178 -------- |
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179 Download |
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180 -------- |
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181 |
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182 The command line tool MEA is free software available for download and |
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183 local installation at |
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184 .. __: http://www.bioinf.uni-leipzig.de/Software/mea/ |
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185 |
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186 ]]></help> |
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187 <citations> |
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188 <citation type="doi">10.1007/978-3-319-02624-4_1</citation> |
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189 </citations> |
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190 |
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191 </tool> |