diff --git a/tools/mfassignr/macros.xml b/tools/mfassignr/macros.xml index 166a489f..a39379c9 100644 --- a/tools/mfassignr/macros.xml +++ b/tools/mfassignr/macros.xml @@ -94,6 +94,42 @@ help= "Lower limit of molecular mass to be assigned."/> + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tools/mfassignr/mfassignr_mfassignCHO.xml b/tools/mfassignr/mfassignr_mfassignCHO.xml index 568ae96d..2bf54d30 100644 --- a/tools/mfassignr/mfassignr_mfassignCHO.xml +++ b/tools/mfassignr/mfassignr_mfassignCHO.xml @@ -32,7 +32,29 @@ lowMW = $lowMW, highMW = $highMW, ppm_err = $ppm_err, - SN = SN + SN = SN, + POEx = $POEx, + NOEx = $NOEx, + Ex = $Ex, + Mx = $Mx, + NH4x = $NH4x, + Zx = $Zx, + Ox = $Ox, + O_Cmin = $O_Cmin, + O_Cmax = $O_Cmax, + H_Cmin = $H_Cmin, + H_Cmax = $H_Cmax, + DBEOmin = $DBEOmin, + DBEOmax = $DBEOmax, + Omin = $Omin, + max_def = $max_def, + min_def = $min_def, + HetCut = $HetCut, + NMScut = $NMScut, + DeNovo = $DeNovo, + nLoop = $nLoop, + Ambig = $Ambig, + MSMS = $MSMS ) write.table(MF_CHO_assign[['Unambig']], file = '$Unambig', row.names= FALSE, sep = "\t")