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labels in advanced tab made more descriptive
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@KristinaGomoryova
KristinaGomoryova committed Oct 18, 2024
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56 changes: 28 additions & 28 deletions tools/mfassignr/macros.xml
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help= "If set to 1 and ionMode is positive, positive mode odd electron ions can be assigned."/>
<param name="NOEx" type="float" label="NOEx" value="0"
help= "If set to 1 and ionMode is negative, negative mode odd electron ions can be assigned."/>
<param name="Ex" type="float" label="Ex" value="0" help= "Sets the amount of Chlorine 37 to be used in assignment."/>
<param name="Mx" type="float" label="Mx" value="0" help= "Sets the amount of Sodium adduct to be used in assignment."/>
<param name="NH4x" type="float" label="NH4x" value="0" help= "Sets the amount of Ammonium adduct to be used in assignment."/>
<param name="Zx" type="float" label="Zx" value="0" help= "Sets the amount of charge to be used in assignment."/>
<param name="Ox" type="float" label="Ox" value="0" help= "Sets the maximum number of oxygen looked for in the CHOFIT core, it limits the number of loops performed."/>
<param name="O_Cmin" type="float" label="O_Cmin" value="0" help= "Sets the minimum allowed oxygen to carbon ratio."/>
<param name="O_Cmax" type="float" label="O_Cmax" value="2.5" help= "Sets the upper limit for oxygen to carbon ratio."/>
<param name="H_Cmin" type="float" label="H_Cmin" value="0.1" help= "Sets the lower limit for hydrogen to carbon ratio."/>
<param name="H_Cmax" type="float" label="H_Cmax" value="3" help= "Sets the upper limit for hydrogen to carbon ratio for assigned formulas."/>
<param name="DBEOmin" type="float" label="DBEOmin" value="-13" help= "Sets the lower limit for DBE minus oxygen QA parameter."/>
<param name="DBEOmax" type="float" label="DBEOmax" value="13" help= "Sets the upper limit for DBE minus oxygen QA parameter."/>
<param name="Omin" type="float" label="Omin" value="0" help= "Sets the lower limit for oxygen number in assigned formula."/>
<param name="max_def" type="float" label="max_def" value="0.9" help= "Sets the upper limit of mass defect for using floor() instead of round() for KMD."/>
<param name="min_def" type="float" label="min_def" value="0.5" help= "Sets the lower limit of mass defect for using floor() instead of round() for KMD."/>
<param name = "HetCut" type="select" display="radio" label="HetCut" help= "HetCut turns on or off the high heteroatom QA parameter.">
<option value="on">on</option>
<option value="off" selected="true">off</option>
<param name="Ex" type="float" label="Amount of Chlorine 37" value="0" help= "Sets the amount of Chlorine 37 to be used in assignment."/>
<param name="Mx" type="float" label="Amount of Sodium adduct" value="0" help= "Sets the amount of Sodium adduct to be used in assignment."/>
<param name="NH4x" type="float" label="Amount of Ammonium adduct" value="0" help= "Sets the amount of Ammonium adduct to be used in assignment."/>
<param name="Zx" type="float" label="Amount of charge" value="1" help= "Sets the amount of charge to be used in assignment."/>
<param name="Ox" type="float" label="Maximum number of oxygen looked for in the CHOFIT core" value="30" help= "Sets the maximum number of oxygen looked for in the CHOFIT core, it limits the number of loops performed."/>
<param name="O_Cmin" type="float" label="Minimum allowed O/C ratio" value="0" help= "Sets the minimum allowed oxygen to carbon ratio."/>
<param name="O_Cmax" type="float" label="Upper limit for O/C ratio" value="2.5" help= "Sets the upper limit for oxygen to carbon ratio."/>
<param name="H_Cmin" type="float" label="Lower limit for H/C ratio" value="0.1" help= "Sets the lower limit for hydrogen to carbon ratio."/>
<param name="H_Cmax" type="float" label="Upper limit for H/C ratio" value="3" help= "Sets the upper limit for hydrogen to carbon ratio for assigned formulas."/>
<param name="DBEOmin" type="float" label="Lower limit for DBE minus oxygen QA parameter" value="-13" help= "Sets the lower limit for DBE minus oxygen QA parameter."/>
<param name="DBEOmax" type="float" label="Upper limit for DBE minus oxygen QA parameter" value="13" help= "Sets the upper limit for DBE minus oxygen QA parameter."/>
<param name="Omin" type="float" label="Lower limit for number of O in assigned formula" value="0" help= "Sets the lower limit for oxygen number in assigned formula."/>
<param name="max_def" type="float" label="Upper limit for KMD" value="0.9" help= "Sets the upper limit of mass defect for using floor() instead of round() for KMD."/>
<param name="min_def" type="float" label="Lower limit for KMD" value="0.5" help= "Sets the lower limit of mass defect for using floor() instead of round() for KMD."/>
<param name = "HetCut" type="select" display="radio" label="Turn on the high heteroatom QA parameter?" help= "HetCut turns on or off the high heteroatom QA parameter.">
<option value="on">yes</option>
<option value="off" selected="true">no</option>
</param>
<param name = "NMScut" type="select" display="radio" label="NMScut" help= "NMScut turns on or off the nominal mass series QA parameter.">
<option value="on" selected="true">on</option>
<option value="off">off</option>
<param name = "NMScut" type="select" display="radio" label="NMScut" help= "Turn on the nominal mass series QA parameter?">
<option value="on" selected="true">yes</option>
<option value="off">no</option>
</param>
<param name="DeNovo" type="float" label="DeNovo" value="1000" help= "Sets the de novo cut point for the data."/>
<param name="nLoop" type="float" label="nLoop" value="5" help= "Sets the number of times the KMD and z* series assignment loops."/>
<param name="ambig_bool" type="select" display="radio" label="Ambig" help= "Turns on or off increased ambiguity for assignment.">
<option value="on">on</option>
<option value="off" selected="true">off</option>
<param name="DeNovo" type="float" label="De novo cut point for the data" value="1000" help= "Sets the de novo cut point for the data."/>
<param name="nLoop" type="float" label="Number of times the KMD and z* series assignment loops" value="5" help= "Sets the number of times the KMD and z* series assignment loops."/>
<param name="ambig_bool" type="select" display="radio" label="Turn on the increased ambiguity for assignment?" help= "Turns on or off increased ambiguity for assignment.">
<option value="on">yes</option>
<option value="off" selected="true">no</option>
</param>
<param name = "MSMS" type="select" display="radio" label="MSMS" help= "Turns on or off CH2 KMD prescreening before initial assignment.">
<option value="on" >on</option>
<option value="off" selected="true">off</option>
<param name = "MSMS" type="select" display="radio" label="Turn on the CH2 KMD prescreening before initial assignment?" help= "Turns on or off CH2 KMD prescreening before initial assignment.">
<option value="on" >yes</option>
<option value="off" selected="true">no</option>
</param>
</section>
</xml>
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